SCHEMBL12691322

SCHEMBL12691322

C=C(O)Cc1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.65
▸ KMT2A Q03164 8/20 0.65
▸ MAPT P10636 6/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ KDM4E B2RXH2 4/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ HPGD P15428 1/20 0.65
▸ SLC6A2 P23975 1/20 0.61
▸ FNTA P49354 1/20 0.61
▸ FNTB P49356 1/20 0.61
▸ CYP3A4 P08684 4/20 0.60
▸ AHR P35869 1/20 0.60
▸ GPR84 Q9NQS5 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ LMNA P02545 3/20 0.57
▸ PKM P14618 1/20 0.54
▸ CYP2D6 P10635 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ MPO P05164 2/20 0.53
▸ CYP2A6 P11509 1/20 0.53

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
SCHEMBL4628084 0.84 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3654754 0.83 MEN1 (0.71) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL22302371 0.82 MAPT (0.59) MEN1KMT2AMAPTALDH1A1KDM4E
Indole-3-Acetic Acid SCHEMBL26344 0.81 MEN1 (0.75) MEN1KMT2AMAPTALDH1A1KDM4E
Indole-3-Acetic Acid SCHEMBL29350750 0.81 MEN1 (0.75) MEN1KMT2AMAPTALDH1A1KDM4E
Indole-3-Acetic Acid SCHEMBL7887240 0.81 MEN1 (0.75) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL9161488 0.81 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10088137 0.81 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4628920 0.81 PKM (0.57) MEN1KMT2AMAPTALDH1A1KDM4E
Indole-3-Acetic Acid SCHEMBL1375190 0.80 MEN1 (0.73) MEN1KMT2AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773062-B2 Deuterated compounds SMALL PHARMA LTD (GB) 2023-10-03 — — US disclosed
US-20230181530-A1 DEUTERATED OR PARTIALLY DEUTERATED N,N-DIMETHYLTRYPTAMINE COMPOUNDS SMALL PHARMA LTD. (GB) 2023-06-15 — — US disclosed
US-11660289-B2 Deuterated or partially deuterated N,N-dimethyltryptamine compounds SMALL PHARMA LTD. (GB) 2023-05-30 — — US disclosed
WO-2019154395-A1 TETRAHYDROISOQUINOLINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 中国科学院上海药物研究所 2019-08-15 — — WO disclosed
US-20120245213-A1 HUMAN TYPE I TASTE RECEPTOR SUBUNIT 3 MODULATORS AND METHODS OF USING SAME MOUNT SINAI SCHOOL OF MEDICINE 2012-09-27 — — US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 — — 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 (4 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-20120245213-A1 HUMAN TYPE I TASTE RECEPTOR SUBUNIT 3 MODULATORS AND METHODS OF USING SAME TAS1R3, TAS2R3, TAS1R1 MEN1 602/4885KMT2A 4619/4885MAPT 4195/4885
US-11660289-B2 Deuterated or partially deuterated N,N-dimethyltryptamine compounds TPH1, TPH2, HTR5A MEN1 227/4885KMT2A 1418/4885MAPT 633/4885
US-11773062-B2 Deuterated compounds PARK7, PSEN1, NDUFS5 MEN1 440/4885KMT2A 2543/4885MAPT 431/4885
US-20230181530-A1 DEUTERATED OR PARTIALLY DEUTERATED N,N-DIMETHYLTRYPTAMINE COMPOUNDS TPH1, TPH2, HTR5A MEN1 227/4885KMT2A 1418/4885MAPT 633/4885

“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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