SCHEMBL3500264

SCHEMBL3500264

O=C(O)c1cn2cc(C=Cc3ccccc3)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
P2RX3 P56373 1/20 0.43
EGLN1 Q9GZT9 2/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PIM1 P11309 1/20 0.40
PTPN1 P18031 1/20 0.40
HNF4A P41235 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 2/20 0.39
CYP2C9 P11712 1/20 0.39
NR4A2 P43354 1/20 0.39
METTL3 Q86U44 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 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
SCHEMBL3500261 1.00 PTGS1 (0.58) PTGS1PTGS2P2RX3EGLN1RAB9A
SCHEMBL3499952 0.90 PTGS1 (0.49) PTGS1PTGS2P2RX3EGLN1RAB9A
SCHEMBL3499950 0.90 PTGS1 (0.49) PTGS1PTGS2P2RX3EGLN1RAB9A
SCHEMBL3498992 0.85 EGLN1 (0.50) PTGS1PTGS2EGLN1RAB9ANPC1
SCHEMBL24247797 0.83 PTGS1 (0.54) PTGS1PTGS2EGLN1RAB9ANPC1
SCHEMBL3498385 0.83 KDM4E (0.56) RAB9ANPC1CYP1A2MAPTKDM4E
SCHEMBL3498388 0.83 KDM4E (0.56) RAB9ANPC1CYP1A2MAPTKDM4E
SCHEMBL30977270 0.76 EGLN1 (0.66) PTGS1PTGS2EGLN1CYP2C9NR4A2
SCHEMBL3660590 0.76 EGLN1 (0.66) PTGS1PTGS2EGLN1CYP2C9NR4A2
SCHEMBL21001616 0.74 PTGS1 (0.59) PTGS1PTGS2EGLN1RAB9ANPC1

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 1882/4885P2RX3 567/4885

“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.