SCHEMBL3499796

SCHEMBL3499796

Cc1c(C(=O)NCC(=O)O)oc2cc(-c3ccc(Cn4c(C)nc5ccccc54)cc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TNF P01375 1/20 0.46
GRM2 Q14416 1/20 0.44
GALR3 O60755 2/20 0.43
NR2F2 P24468 2/20 0.43
RAB9A P51151 2/20 0.43
PPARG P37231 3/20 0.42
EDNRA P25101 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
RORC P51449 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL13344480 0.92 HDAC1 (0.48) HDAC1HDAC6TNFGRM2GALR3
SCHEMBL3500451 0.90 HDAC1 (0.46) HDAC1HDAC6TNFGRM2GALR3
SCHEMBL3498912 0.88 TNF (0.52) HDAC1HDAC6TNFGRM2GALR3
SCHEMBL3498511 0.85 HDAC1 (0.45) HDAC1HDAC6TNFGRM2GALR3
SCHEMBL3498137 0.83 HDAC1 (0.47) HDAC1HDAC6TNFGRM2GALR3
SCHEMBL3500040 0.77 MCL1 (0.53) RAB9ALMNANPC1
SCHEMBL9302136 0.69 HDAC1 (0.72) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL8137536 0.69 TNF (0.59) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL15071579 0.68 TNF (0.69) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL1331422 0.68 HDAC1 (0.74) HDAC1HDAC6TNFGALR3NR2F2

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
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
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 HDAC1 687/4885HDAC6 1532/4885TNF 4564/4885

“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.