SCHEMBL16705684

SCHEMBL16705684

NNc1nc2c(ccc3ccccc32)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.58
▸ MEN1 O00255 14/20 0.54
▸ KMT2A Q03164 14/20 0.54
▸ MAPT P10636 13/20 0.54
▸ ALDH1A1 P00352 10/20 0.54
▸ LMNA P02545 7/20 0.54
▸ GAA P10253 6/20 0.54
▸ TDP1 Q9NUW8 6/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ PKM P14618 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ POLB P06746 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ KDM4E B2RXH2 7/20 0.52
▸ HTT P42858 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ IDO1 P14902 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17933317 0.83 XIAP (0.58) XIAPMEN1KMT2AMAPTALDH1A1
SCHEMBL1801464 0.78 ALDH1A1 (0.52) XIAPMEN1KMT2AMAPTALDH1A1
Bromide SCHEMBL4961408 0.77 ALDH1A1 (0.50) XIAPMEN1KMT2AMAPTALDH1A1
SCHEMBL28962447 0.76 MEN1 (0.71) XIAPMEN1KMT2AMAPTALDH1A1
Cyclohexane SCHEMBL28931502 0.75 XIAP (0.54) XIAPMEN1KMT2AMAPTALDH1A1
SCHEMBL4961093 0.74 KMT2A (0.67) XIAPMEN1KMT2AMAPTALDH1A1
SCHEMBL26190024 0.74 IDO1 (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7905015 0.73 ALDH1A1 (0.46) XIAPMEN1KMT2AMAPTALDH1A1
SCHEMBL22457218 0.73 XIAP (0.48) XIAPMEN1KMT2AMAPTALDH1A1
SCHEMBL2170681 0.73 RAB9A (0.53) XIAPMEN1KMT2AMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370740-B2 Method for producing ester group-containing compound DIC CORPORATION (JP) 2022-06-28 — — US disclosed
US-11091452-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2021-08-17 — — US disclosed
US-10919870-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2021-02-16 — — US disclosed
US-20200048213-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2020-02-13 — — US disclosed
US-10428032-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2019-10-01 — — US disclosed
US-10173992-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2019-01-08 — — US disclosed
EP-2871192-B1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORP (JP) 2018-06-20 — — EP disclosed
WO-2017079867-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-05-18 — — WO disclosed
US-9586917-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586917-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound ZEON CORPORATION (JP) 2017-03-07 — — US disclosed
US-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2016-09-29 — — US disclosed
US-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2016-09-29 — — US disclosed
US-20150175564-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2015-06-25 — — US disclosed
US-20150175564-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND ZEON CORPORATION (JP) 2015-06-25 — — US disclosed
EP-2871192-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND Zeon Corporation (JP) 2015-05-13 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10173992-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound PYM1, C5, C1S XIAP 3337/4885MEN1 2592/4885KMT2A 1709/4885
US-20200048213-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PDE8A, MAPT, PLK4 XIAP 4321/4885MEN1 1191/4885KMT2A 3296/4885
US-11091452-B2 Polymerizable compound, polymerizable composition, polymer, optically anisotropic body, and method for producing polymerizable compound PDE8A, MAPT, PLK4 XIAP 4321/4885MEN1 1191/4885KMT2A 3296/4885
US-11370740-B2 Method for producing ester group-containing compound COASY, TAF5, TAF9 XIAP 2997/4885MEN1 786/4885KMT2A 3193/4885
US-10919870-B2 Polymerizable compound and optically anisotropic body ZYX, ZW10, DPY30 XIAP 4348/4885MEN1 2026/4885KMT2A 2769/4885
US-10428032-B2 Polymerizable compound and optically anisotropic body CCNY, F12, CCNI XIAP 4485/4885MEN1 857/4885KMT2A 4073/4885
US-20160280672-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S XIAP 3337/4885MEN1 2592/4885KMT2A 1709/4885
US-20150175564-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND PYM1, C5, C1S XIAP 3337/4885MEN1 2592/4885KMT2A 1709/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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