SCHEMBL5013530

SCHEMBL5013530

CNc1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ CYP3A4 P08684 4/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ USP2 O75604 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ FLT3 P36888 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL8418985 0.83 HTT (0.57) ALDH1A1HPGDSMN1; SMN2KDM4EHTT
SCHEMBL1004649 0.83 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2CYP3A4CYP1A2
SCHEMBL19459308 0.83 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2CYP3A4CYP1A2
SCHEMBL21120613 0.81 NCEH1 (0.47) ALDH1A1HPGDSMN1; SMN2CYP3A4CYP1A2
SCHEMBL1782141 0.81 SMN1; SMN2 (0.53) ALDH1A1HPGDSMN1; SMN2CYP3A4CYP1A2
SCHEMBL13123445 0.81 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2CYP3A4CYP1A2
SCHEMBL25041339 0.80 LIMK2 (0.43) ALDH1A1HPGDCYP3A4HSD17B10ALOX15
SCHEMBL15124764 0.79 HTT (0.53) ALDH1A1HPGDSMN1; SMN2HTTCSNK2A1
SCHEMBL2128427 0.78 HDAC2 (0.59) ALDH1A1HPGDSMN1; SMN2CYP3A4CYP1A2
SCHEMBL12852583 0.78 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2CYP3A4CYP1A2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 — — EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 — — US claimed
WO-2024081363-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-04-18 — — WO disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 — — US disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 — — US disclosed
WO-2023172940-A1 METHODS FOR TREATING IMMUNE REFRACTORY LUNG CANCER Revolution Medicines, Inc. (US) 2023-09-14 — — WO disclosed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 — — US disclosed
WO-2023015559-A1 MACROCYCLE COMPOUNDS AS INHIBITORS OF RAS NUTSHELL BIOTECH (SHANGHAI) CO., LTD. (CN) 2023-02-16 — — WO disclosed
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 — — EP disclosed
WO-2022006439-A2 COMPOUND EMBODIMENTS FOR TREATING RETINAL DEGENERATION AND METHOD EMBODIMENTS OF MAKING AND USING THE SAME THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-06 — — WO disclosed
WO-2021257736-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2021-12-23 — — WO disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 — — US disclosed
US-9481670-B2 Triazine compounds SPHAERA PHARMA PTE. LTD. (SG) 2016-11-01 — — US disclosed
EP-2435019-B1 DODECA-2E,4E-DIENE AMIDES AND THEIR USE AS MEDICAMENTS AND COSMETICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2015-09-23 — — EP disclosed
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2013-11-14 — — US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 — — US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 — — US disclosed
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 — — WO disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 — — EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 — — 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 ALDH1A1 2980/4885HPGD 3618/4885SMN1; SMN2 3173/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 ALDH1A1 4081/4885HPGD 2655/4885SMN1; SMN2 67/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C ALDH1A1 145/4885HPGD 401/4885SMN1; SMN2 107/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL ALDH1A1 1278/4885HPGD 3765/4885SMN1; SMN2 4705/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 ALDH1A1 2975/4885HPGD 3653/4885SMN1; SMN2 3183/4885
US-20130303516-A1 NOVEL TRIAZINE COMPOUNDS MTOR, MAPKAP1, PIK3R5 ALDH1A1 3791/4885HPGD 2598/4885SMN1; SMN2 3534/4885

“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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