SCHEMBL6288987

SCHEMBL6288987

O=C(NCc1ccccc1)C1Cc2ncc(Cc3ccc(F)c(F)c3)cc2N1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
CACNA1G O43497 3/20 0.38
MC4R P32245 1/20 0.38
MCHR1 Q99705 1/20 0.38
S1PR1 P21453 2/20 0.37
DPP4 P27487 1/20 0.37
S1PR3 Q99500 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ALDH1A1 P00352 3/20 0.36
P2RX7 Q99572 2/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
TSHR P16473 1/20 0.35
PTGER4 P35408 1/20 0.35

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
SCHEMBL6292133 0.73 S1PR1 (0.33) S1PR1S1PR3
SCHEMBL6288983 0.73 PTGER4 (0.40) CACNA1GS1PR3ALDH1A1HPGDTSHR
SCHEMBL12641851 0.69 CACNA1G (0.47) CACNA1GMC4RTRPM8ALDH1A1USP2
SCHEMBL19476118 0.68 GAA (0.60) HTR2CHTR2BCACNA1GMC4RALDH1A1
SCHEMBL19476512 0.68 GAA (0.60) HTR2CHTR2BCACNA1GMC4RALDH1A1
SCHEMBL6289345 0.67 MAOB (0.55) CACNA1GS1PR1S1PR3PTGER4
SCHEMBL5358075 0.65 MCHR1 (0.51) MCHR1ALDH1A1P2RX7USP2HPGD
SCHEMBL6288754 0.63 KDM5A (0.39) S1PR1S1PR3
SCHEMBL26398036 0.62 GAA (0.51) CACNA1GALDH1A1HPGD
SCHEMBL3362040 0.62 CALM1 (0.55) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 GID4 3826/4885HTR2C 4060/4885HTR2B 3692/4885

“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.