SCHEMBL15601844

SCHEMBL15601844

Cc1cnn(Cc2cccc(C(=O)N(C)CC(=O)O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KLKB1 P03952 6/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ SCD O00767 1/20 0.41
▸ SCD5 Q86SK9 1/20 0.41
▸ GYS1 P13807 1/20 0.41
▸ PTGER4 P35408 2/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TAS2R8 Q9NYW2 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL15592371 0.86 POLB (0.50) POLBTDP1L3MBTL1KDM4EMEN1
SCHEMBL19087151 0.84 POLB (0.71) POLBTDP1L3MBTL1KLKB1KDM4E
SCHEMBL15601876 0.79 KLKB1 (0.58) POLBTDP1L3MBTL1KLKB1KDM4E
SCHEMBL19086984 0.78 CD74 (0.57) POLBTDP1L3MBTL1KLKB1KDM4E
SCHEMBL15108901 0.76 KMT2A (0.58) L3MBTL1MEN1KMT2AGYS1TSHR
SCHEMBL12569708 0.75 TDP1 (0.58) POLBTDP1L3MBTL1MEN1KMT2A
SCHEMBL15601829 0.75 KDM4E (0.63) POLBTDP1L3MBTL1KLKB1KDM4E
SCHEMBL25583758 0.74 ALDH1A1 (0.54) POLBTDP1L3MBTL1KLKB1MEN1
SCHEMBL15601841 0.73 ALPI (0.46) POLBL3MBTL1KLKB1KMT2AHTT
SCHEMBL15592780 0.72 KMT2A (0.54) L3MBTL1MEN1KMT2AGYS1

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-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — US 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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 POLB 3238/4885TDP1 1315/4885L3MBTL1 2559/4885

“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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