SCHEMBL3499952

SCHEMBL3499952

Cc1ccc(C=Cc2ccc3nc(C(=O)O)cn3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.49
PTGS2 P35354 2/20 0.49
EGLN1 Q9GZT9 1/20 0.46
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
P2RX3 P56373 1/20 0.40
FOS P01100 1/20 0.40
JUN P05412 1/20 0.40
ALOX5 P09917 1/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1B1 Q16678 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 3/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38

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
SCHEMBL3499950 1.00 PTGS1 (0.49) PTGS1PTGS2EGLN1MAPTALDH1A1
SCHEMBL3500264 0.90 PTGS1 (0.58) PTGS1PTGS2EGLN1MAPTCYP3A4
SCHEMBL3500261 0.90 PTGS1 (0.58) PTGS1PTGS2EGLN1MAPTCYP3A4
SCHEMBL3498992 0.86 EGLN1 (0.50) PTGS1PTGS2EGLN1MAPTALDH1A1
SCHEMBL3498738 0.83 KDM4E (0.59) EGLN1MAPTALDH1A1HPGDRAB9A
SCHEMBL3498736 0.83 KDM4E (0.59) EGLN1MAPTALDH1A1HPGDRAB9A
SCHEMBL2638074 0.82 PTGS1 (0.59) PTGS1PTGS2EGLN1MAPTALDH1A1
SCHEMBL24247797 0.81 PTGS1 (0.54) PTGS1PTGS2EGLN1MAPTALDH1A1
SCHEMBL3498385 0.79 KDM4E (0.56) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL3498388 0.79 KDM4E (0.56) MAPTALDH1A1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 PTGS1 1386/4885PTGS2 1882/4885EGLN1 1231/4885

“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.