SCHEMBL4984447

SCHEMBL4984447

COc1ccc(-n2nc(C(=O)O)nc2-c2ccc(F)cn2)cn1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 11/20 0.41
AVPR1A P37288 5/20 0.41
P2RX7 Q99572 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
GABRA5 P31644 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL14186820 0.99 OXTR (0.41) OXTRAVPR1AP2RX7SMN1; SMN2GABRA5
SCHEMBL4984451 0.88 OXTR (0.40) OXTRAVPR1AP2RX7SMN1; SMN2GABRA5
SCHEMBL4987515 0.88 SMN1; SMN2 (0.40) OXTRAVPR1AP2RX7SMN1; SMN2MEN1
SCHEMBL5785285 0.87 KMT2A (0.43) OXTRAVPR1AP2RX7SMN1; SMN2GABRA5
SCHEMBL4987571 0.86 HTT (0.40) OXTRAVPR1AP2RX7SMN1; SMN2GABRA5
SCHEMBL5781986 0.86 SMN1; SMN2 (0.49) OXTRAVPR1AP2RX7SMN1; SMN2MEN1
SCHEMBL4987655 0.85 P2RX7 (0.39) OXTRAVPR1AP2RX7SMN1; SMN2GABRA5
SCHEMBL4988506 0.84 OXTR (0.40) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL4984496 0.84 SMN1; SMN2 (0.40) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL5782323 0.83 HRH3 (0.41) OXTRAVPR1AP2RX7SMN1; SMN2GABRA5

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 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 (2 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R OXTR 2187/4885AVPR1A 548/4885P2RX7 217/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 OXTR 2837/4885AVPR1A 2144/4885P2RX7 604/4885

“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.