SCHEMBL2880593

SCHEMBL2880593

COc1ccc(C(=O)c2ccccc2C(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 2/20 0.55
▸ AKR1C3 P42330 3/20 0.53
▸ CDC25B P30305 3/20 0.50
▸ CDC25A P30304 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ OXTR P30559 1/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ TAS2R14 Q9NYV8 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL9268220 0.84 NNMT (0.58) NNMTHSD17B10ALDH1A1OXTRMKNK1
SCHEMBL13720914 0.82 TSHR (0.55) NNMTCDC25BHSD17B10ATMLMNA
SCHEMBL18228074 0.82 NNMT (0.72) NNMTLMNAALDH1A1OXTRMKNK1
SCHEMBL29757598 0.80 NNMT (0.70) NNMTHSD17B10ALDH1A1OXTRMKNK1
SCHEMBL185291 0.80 NNMT (0.70) NNMTHSD17B10ALDH1A1OXTRMKNK1
SCHEMBL9267011 0.79 ALDH1A1 (0.50) NNMTCDC25BALDH1A1MAPTPOLB
SCHEMBL8564208 0.79 CHEK1 (0.61) LMNAALDH1A1MAPTPOLBNPC1
SCHEMBL703607 0.79 NNMT (0.68) NNMTHSD17B10ALDH1A1OXTRMKNK1
SCHEMBL8560123 0.78 CHEK1 (0.60) LMNAALDH1A1MAPTPOLBNPC1
SCHEMBL1874313 0.77 PRKAG1 (0.53) LMNAOXTRMKNK1MKNK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1922183-B Nitrogenous fused heteroaromatic ring derivative BANYU PHARMA CO LTD 2010-05-26 — — CN disclosed
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 — — US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 — — US disclosed
CN-1922183-A Nitrogenous fused heteroaromatic ring derivative BANYU PHARMA CO LTD (JP) 2007-02-28 — — CN disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 — — 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-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 NNMT 334/4885AKR1C3 1100/4885CDC25B 3873/4885

“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.

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