SCHEMBL6470274

SCHEMBL6470274

CCCc1[c][nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HTR2A P28223 2/20 0.37
GAA P10253 2/20 0.36
GPR84 Q9NQS5 2/20 0.35
FFAR1 O14842 1/20 0.35
HSD17B10 Q99714 3/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 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
SCHEMBL4142895 0.89 KDM4E (0.42) CHRNB2CHRNA7CHRNA4RAB9AALDH1A1
SCHEMBL3244780 0.87 CTSV (0.44) RAB9AALDH1A1HPGDKDM4EGAA
SCHEMBL640081 0.84 KIF11 (0.39) CHRNB2CHRNA7CHRNA4ALDH1A1HPGD
SCHEMBL16432092 0.81 TAAR1 (0.46) ALDH1A1KDM4EHTR2AHSD17B10MEN1
SCHEMBL7989623 0.78 SLC6A4 (0.53) ALDH1A1HTR2A
SCHEMBL3381548 0.76 ALDH1A1 (0.36) RAB9AALDH1A1HPGDKDM4EGAA
SCHEMBL7404828 0.76 HTR2A (0.36) ALDH1A1HPGDKDM4EHTR2AGAA
SCHEMBL5327645 0.76 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EGAAGPR84
SCHEMBL928608 0.76 ALDH1A1 (0.47) CHRNA7ALDH1A1HPGDKDM4EHTR2A
SCHEMBL3096966 0.75 KIF11 (0.44) CHRNB2CHRNA7CHRNA4RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed
EP-0422178-A1 PYRIMIDINE DERIVATIVES. ICI PLC (GB) 1991-04-17 EP 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 (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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 CHRNB2 3111/4885CHRNA7 3417/4885CHRNA4 1927/4885

“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.