SCHEMBL3209745

SCHEMBL3209745

CC(=O)n1c[c]c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
POLB P06746 3/20 0.42
HTT P42858 2/20 0.36
NOX1 Q9Y5S8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
CREBBP Q92793 3/20 0.35
BRPF1 P55201 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL8871120 0.82 TSHR (0.34) NOTUMPOLBALDH1A1KDM4EGLA
SCHEMBL9581901 0.81 BCHE (0.35) NOTUMPOLBKDM4EHPGDHSD17B10
SCHEMBL9581907 0.80 KMT2A (0.46) ALDH1A1KDM4EHSD17B10LMNAEGFR
SCHEMBL15474750 0.78 RAB9A (0.50) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL9582187 0.78 ALDH1A1 (0.43) POLBALDH1A1KDM4EHSD17B10GAA
SCHEMBL13834141 0.77 NOTUM (0.33) NOTUM
SCHEMBL4853728 0.77 CYP2D6 (0.33) HTTALDH1A1GAAMEN1KMT2A
SCHEMBL1948855 0.76 BCHE (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5462632 0.70 F12 (0.52) POLBALDH1A1KDM4EHSD17B10MEN1
SCHEMBL154929 0.69 EGFR (0.36) POLBALDH1A1KDM4ELMNACREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072467-B Substituted guanidino-containing derivative and application thereof in preparing osteoclast differentiation inhibitor 南方医科大学 2022-04-12 CN claimed
CN-113072467-A Substituted guanidino-containing derivative and application thereof in preparing osteoclast differentiation inhibitor 南方医科大学 2021-07-06 CN claimed
EP-3323816-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2019-07-03 EP claimed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP claimed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US claimed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US claimed
US-20140142094-A1 KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-05-22 US claimed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US claimed
EP-2702064-A1 KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2014-03-05 EP claimed
CN-103619854-A Kinase inhibitors SINAI SCHOOL MEDICINE 2014-03-05 CN claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
EP-0903349-A2 CCR-3 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1999-03-24 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
EP-0833629-A4 ARYL ACRYLIC ACID DERIVATIVES USEFUL AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS ONTOGEN CORP (US) 1998-09-16 EP claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
US-5770620-A ENZYME INHIBITOR AS IMMUNOMODULATORS ONTOGEN CORPORATION (US) 1998-06-23 US claimed
EP-0833629-A2 ARYL ACRYLIC ACID DERIVATIVES USEFUL AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS ONTOGEN CORPORATION (US) 1998-04-08 EP claimed
WO-1997008934-A2 ARYL ACRYLIC ACID DERIVATIVES USEFUL AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS ONTOGEN CORPORATION (US) 1997-03-13 WO claimed
US-4355823-A Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1982-10-26 US claimed

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-20140142094-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 NOTUM 3329/4885POLB 669/4885HTT 3293/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 NOTUM 4256/4885POLB 4181/4885HTT 101/4885

“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.