SCHEMBL3828409

SCHEMBL3828409

Nc1cc2c(cc1Cl)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 3/20 0.37
CYP3A4 P08684 3/20 0.37
TP53 P04637 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34

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
SCHEMBL30022296 1.00 GAA (0.52) GAAALDH1A1KDM4EMEN1MAPT
SCHEMBL30888632 0.95 ALDH1A1 (0.54) GAAALDH1A1KDM4EMEN1MAPT
SCHEMBL20232081 0.93 ALDH1A1 (0.52) GAAALDH1A1KDM4EMEN1MAPT
SCHEMBL31515080 0.90 GAA (0.58) GAAALDH1A1KDM4EMEN1MAPT
SCHEMBL5837186 0.81 KMT2A (0.59) GAAALDH1A1KDM4EMEN1MAPT
SCHEMBL5751880 0.81 SIGMAR1 (0.43) GAAALDH1A1KDM4EMEN1MAPT
SCHEMBL22271601 0.78 GAA (0.50) GAAALDH1A1TSHRCYP3A4TP53
SCHEMBL30315317 0.75 SIGMAR1 (0.43) GAAALDH1A1KDM4EMEN1MAPT
SCHEMBL11347157 0.75 MEN1 (0.67) GAAALDH1A1KDM4EMEN1MAPT
SCHEMBL30991574 0.74 GAA (0.41) GAAALDH1A1KDM4EMEN1MAPT

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
EP-4582428-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2025-07-09 EP disclosed
US-20250114361-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2025-04-10 US disclosed
US-20240400561-A1 NOVEL SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2024-12-05 US disclosed
CN-118251393-A Novel substituted sulfonylurea compounds as inhibitors of interleukin-1 activity 唯久生物技术(苏州)有限公司 2024-06-25 CN disclosed
WO-2024048519-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF 日本たばこ産業株式会社 2024-03-07 WO disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
CN-1729157-A Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors NOVARTIS AG (CH) 2006-02-01 CN disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 WO disclosed
US-5530005-A THERAPY FOR SKIN DISORDERS, AIDS, IMMUNOSUPPRESION DISEASES SYNTEX (U.S.A.) INC. (US) 1996-06-25 US disclosed
US-5475003-A Antiinflammatory agent, immunosuppressive, antiallergens, bronchodilators, analgens SYNTEX (U.S.A.) INC. (US) 1995-12-12 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 (3 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-20240400561-A1 NOVEL SUBSTITUTED SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY IL1B, IL1A, IL18 GAA 712/4885ALDH1A1 762/4885KDM4E 3870/4885
US-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 GAA 1430/4885ALDH1A1 99/4885KDM4E 3616/4885
US-20250114361-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF NLRP3, NLRP1, PYCARD GAA 3012/4885ALDH1A1 1558/4885KDM4E 2225/4885

“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.