SCHEMBL6620780

SCHEMBL6620780

Cc1cc(-c2cccc(-c3ccc(C(C)C(=O)O)cc3)n2)c(C)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.53
PTGS1 P23219 4/20 0.44
RARG P13631 1/20 0.41
AKR1C3 P42330 5/20 0.41
AKR1C2 P52895 5/20 0.41
DGAT1 O75907 2/20 0.40
SOAT1 P35610 1/20 0.40
SGK1 O00141 1/20 0.40
MAP3K5 Q99683 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FABP2 P12104 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C4 P17516 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
AKR1C1 Q04828 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL6621300 0.84 RARG (0.56) RARGMEN1KMT2AHPGD
SCHEMBL6620024 0.80 ABCC4 (0.42) PTGS1RARGDGAT1SOAT1MAP3K5
SCHEMBL6619779 0.80 JAK1 (0.32) PTGS2RARGMEN1KMT2AMAPT
SCHEMBL6696951 0.77 RAB9A (0.49) RARGMEN1KMT2ALMNAMAPT
SCHEMBL6618754 0.76 RARG (0.37) RARGMEN1KMT2AMAPTHPGD
SCHEMBL6619003 0.73 NOS3 (0.40) MEN1KMT2A
SCHEMBL8576740 0.73 KARS1 (0.41) MEN1KMT2ATSHRLMNAMAPT
SCHEMBL6700785 0.72 CYP2A6 (0.49) KMT2ACYP1A2
SCHEMBL6620786 0.72 PTGS2 (0.49) PTGS2PTGS1AKR1C3AKR1C2DGAT1
SCHEMBL6700485 0.71 MEN1 (0.49) PTGS2MEN1KMT2ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 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 (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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 PTGS2 31/4885PTGS1 46/4885RARG 3022/4885

“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.