SCHEMBL694560

SCHEMBL694560

[c]1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP19A1 P11511 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 1/20 0.38
P2RX4 Q99571 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL17956236 0.87 CNR1 (0.40) TNFCYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL3079071 0.86 LMNA (0.50) CYP11B1CYP11B2SMN1; SMN2LMNAALDH1A1
SCHEMBL5198251 0.86 APP (0.40) TNFCYP11B1CYP11B2SMN1; SMN2LMNA
SCHEMBL3086235 0.86 TP53 (0.38) TNFCYP11B1CYP11B2SMN1; SMN2LMNA
SCHEMBL3849945 0.86 ALDH1A1 (0.46) CYP11B1CYP11B2CYP19A1SMN1; SMN2LMNA
SCHEMBL3079980 0.82 XDH (0.42) CYP11B1CYP11B2SMN1; SMN2LMNAALDH1A1
SCHEMBL3088022 0.82 ALOX5AP (0.40) CYP11B1CYP11B2SMN1; SMN2ALDH1A1HTR6
SCHEMBL3091133 0.82 P2RX4 (0.48) CYP11B1CYP11B2SMN1; SMN2LMNAALDH1A1
SCHEMBL17956268 0.82 CHRNB2 (0.44) CYP11B1LMNAALDH1A1CHRNB2CHRNA4
SCHEMBL5536982 0.81 HTT (0.47) LMNAALDH1A1TSHRKMT2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114195610-B Synthesis method of E-type internal olefin compound 海南大学 2023-07-14 CN claimed
CN-114195610-A Synthetic method of E-type internal olefin compound 海南大学 2022-03-18 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-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US claimed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP claimed
US-8367653-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-02-05 US claimed
EP-0299972-B1 ANTHELMINTIC QUATERNARYALKYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1992-03-04 EP claimed
EP-0397364-A1 Heterocyclic guanidines AS 5HT 3 Antagonists PFIZER INC. (US) 1990-11-14 EP claimed
US-4831045-A Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1989-05-16 US claimed
EP-0299972-A1 ANTHELMINTIC QUATERNARYALKYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS. UPJOHN CO (US) 1989-01-25 EP claimed
WO-1987006132-A1 ANTHELMINTIC QUATERNARYALKYL ACYLHYDRAZONES, METHOD OF USE AND COMPOSITIONS THE UPJOHN COMPANY (US) 1987-10-22 WO claimed
EP-0084941-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-11 EP claimed
US-4528282-A Amide derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-07-09 US claimed
EP-0047109-B1 RHODANINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITOR CONTAINING THE RHODANINE DERIVATIVES AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP claimed
EP-0084941-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 EP claimed
EP-0047109-A1 Rhodanine derivatives, process for their preparation, and aldose reductase inhibitor containing the rhodanine derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-10 EP 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 (1 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-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 TNF 4866/4885CYP11B1 197/4885CYP11B2 129/4885

“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.