SCHEMBL2176432

SCHEMBL2176432

CN(C)C=Nn1nc(-c2ccc(Cl)cc2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MARS1 P56192 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL2176430 1.00 SMN1; SMN2 (0.44) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL2175058 0.85 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL2175062 0.85 SMN1; SMN2 (0.47) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL2186196 0.74 SMN1; SMN2 (0.39) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL2565586 0.74 MAPT (0.56) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL2184522 0.72 SMN1; SMN2 (0.40) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL2184518 0.72 SMN1; SMN2 (0.40) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL2387798 0.69 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL2387803 0.69 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL29253920 0.69 RPA1 (0.60) SMN1; SMN2KDM4ELMNAMARS1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346872-B1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-11-25 — — EP disclosed
US-8754211-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-17 — — US disclosed
US-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-30 — — US disclosed
US-8580959-B2 Azolotriazinone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-12 — — US disclosed
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2011-09-08 — — US disclosed
EP-2346872-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 — — EP disclosed
WO-2010042682-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — WO 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-20140031337-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R SMN1; SMN2 4324/4885KDM4E 1476/4885NPC1 671/4885
US-20110218185-A1 AZOLOTRIAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R SMN1; SMN2 4324/4885KDM4E 1476/4885NPC1 671/4885

“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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