SCHEMBL15096386

SCHEMBL15096386

[N-]=[N+]=NCCOCCOCCOCCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 17/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PABPC1 P11940 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL30459062 1.00 CYP1B1 (0.53) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL30455266 1.00 CYP1B1 (0.53) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL29936324 0.88 CYP1B1 (0.65) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL22164834 0.88 CYP1B1 (0.65) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL26349189 0.84 MGMT (0.42) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL29199650 0.82 HPGD (0.49) ALDH1A1NPC1MAPTKMT2A
SCHEMBL10262375 0.81 CYP1B1 (0.60) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL14499669 0.80 HPGD (0.50) ALDH1A1NPC1MAPTKMT2A
SCHEMBL15096384 0.80 MEN1 (0.57) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL10267887 0.77 CYP1B1 (0.68) CYP1B1ALDH1A1POLBKDM4EMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303502-A1 HETEROARYL AND HETEROCYCLYL COMPOUNDS SIGILON THERAPEUTICS, INC. 2023-09-28 — — US disclosed
US-20230303502-A1 HETEROARYL AND HETEROCYCLYL COMPOUNDS SIGILON THERAPEUTICS, INC. 2023-09-28 — — US disclosed
US-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2013-07-11 — — US disclosed
US-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2013-07-11 — — US 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 (2 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-20230303502-A1 HETEROARYL AND HETEROCYCLYL COMPOUNDS CYP3A43, CYP2C9, CYP2C19 CYP1B1 18/4885ALDH1A1 296/4885POLB 1454/4885
US-20130178609-A1 MODULAR CONSTRUCTION OF LIPOPHOSPHOLIPIDS SGMS2, SGMS1, DEGS1 CYP1B1 2972/4885ALDH1A1 4578/4885POLB 3749/4885

“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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