SCHEMBL354060

SCHEMBL354060

ClNCc1ccc2c(c1)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.62
▸ GAA P10253 2/20 0.62
▸ ALOX12 P18054 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TAAR1 Q96RJ0 2/20 0.55
▸ DPP7 Q9UHL4 3/20 0.54
▸ HPGD P15428 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ SLC6A4 P31645 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ALDH2 P05091 1/20 0.52
▸ CYP2D6 P10635 1/20 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
SCHEMBL109279 0.84 ALDH1A1 (0.67) ALDH1A1GAAALOX12SMN1; SMN2TAAR1
SCHEMBL25990229 0.82 ALDH1A1 (0.64) ALDH1A1GAAALOX12SMN1; SMN2TAAR1
SCHEMBL14205398 0.81 TAAR1 (0.61) ALDH1A1GAATAAR1KDM4ESLC6A4
SCHEMBL31040515 0.81 GAA (0.64) ALDH1A1GAAALOX12SMN1; SMN2TAAR1
SCHEMBL1254037 0.81 ALDH1A1 (0.62) ALDH1A1GAAALOX12SMN1; SMN2TAAR1
SCHEMBL30128732 0.81 ALDH1A1 (0.67) ALDH1A1GAAALOX12SMN1; SMN2TAAR1
SCHEMBL14612437 0.81 ALDH1A1 (0.62) ALDH1A1GAAALOX12SMN1; SMN2TAAR1
SCHEMBL6895229 0.81 ALDH1A1 (0.62) ALDH1A1GAAALOX12SMN1; SMN2TAAR1
SCHEMBL8722263 0.81 GAA (0.64) ALDH1A1GAAALOX12SMN1; SMN2TAAR1
SCHEMBL7732926 0.81 ALDH1A1 (0.67) ALDH1A1GAAALOX12SMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 — — US disclosed
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 — — US disclosed
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2017-10-05 — — US disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 — — EP disclosed
US-9585883-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2017-03-07 — — US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 — — US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 — — US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 — — EP disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 — — WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — 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 (6 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885GAA 352/4885ALOX12 840/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ALDH1A1 2806/4885GAA 602/4885ALOX12 4583/4885
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD ALDH1A1 1556/4885GAA 1172/4885ALOX12 3538/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD ALDH1A1 1556/4885GAA 1172/4885ALOX12 3538/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885GAA 352/4885ALOX12 840/4885
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD ALDH1A1 1556/4885GAA 1172/4885ALOX12 3538/4885

“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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