SCHEMBL16149339

SCHEMBL16149339

Cc1cc(Cl)nc(N2CCC(C)(C)CC2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 7/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ FABP3 P05413 3/20 0.41
▸ FABP4 P15090 3/20 0.41
▸ FABP5 Q01469 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KCNQ2 O43526 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.34
▸ PTGER4 P35408 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ AKT3 Q9Y243 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL31343943 0.89 SCN10A (0.45) SCN10AALDH1A1MAPK1SMN1; SMN2FABP3
SCHEMBL23779523 0.85 FABP3 (0.54) SCN10AALDH1A1MAPK1SMN1; SMN2FABP3
SCHEMBL16150727 0.84 FABP3 (0.36) SCN10AALDH1A1MAPK1SMN1; SMN2FABP3
SCHEMBL25388809 0.84 SCN10A (0.53) SCN10AALDH1A1MAPK1SMN1; SMN2FABP3
SCHEMBL30562399 0.84 SCN10A (0.53) SCN10AALDH1A1MAPK1SMN1; SMN2FABP3
SCHEMBL16148999 0.83 SCN10A (0.41) SCN10AFABP3FABP4FABP5CYP2C9
SCHEMBL24070559 0.81 SPR (0.41) SCN10AALDH1A1MAPK1SMN1; SMN2FABP3
SCHEMBL18560287 0.80 SCN10A (0.42) SCN10AALDH1A1SMN1; SMN2KCNQ2GPR35
SCHEMBL31343919 0.79 SCN10A (0.43) SCN10AALDH1A1MAPK1SMN1; SMN2FABP3
SCHEMBL21906089 0.76 SCN10A (0.58) SCN10APTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008358-B inhibitors of human immunodeficiency virus replication 百时美施贵宝公司 2017-12-29 — — CN disclosed
US-9655889-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2017-05-23 — — US disclosed
EP-2970273-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-03-01 — — EP disclosed
EP-2970273-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION Bristol-Myers Squibb Company (US) 2016-01-20 — — EP disclosed
US-20160000771-A1 Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2016-01-07 — — US disclosed
WO-2014164409-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 — — 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 (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-20160000771-A1 Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, RTF2, MAVS SCN10A 4717/4885ALDH1A1 3508/4885MAPK1 1620/4885

“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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