SCHEMBL3901501

SCHEMBL3901501

Nc1ccc(-c2cc[nH]c(=O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.64
▸ MAP4K4 O95819 2/20 0.50
▸ TDP2 O95551 1/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALDH2 P05091 7/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL6042142 0.84 NOTUM (0.77) NOTUMMAP4K4TP53ALDH2HDAC6
SCHEMBL14466739 0.80 NOTUM (0.55) NOTUMMAP4K4ALDH2TAAR1
SCHEMBL3476831 0.79 NOTUM (0.64) NOTUMMAP4K4TDP2ALDH1A1ALDH2
SCHEMBL4231200 0.79 NOTUM (0.64) NOTUMMAP4K4ALDH2HDAC6
SCHEMBL94548 0.79 NOTUM (0.64) NOTUMMAP4K4ALDH2HDAC6PARP1
SCHEMBL22151411 0.79 NOTUM (0.58) NOTUMMAP4K4CYP3A4ALDH2HDAC6
SCHEMBL14353060 0.79 NOTUM (0.58) NOTUMMAP4K4ALDH2TAAR1CHEK1
SCHEMBL1136802 0.78 NOTUM (1.00) NOTUMMAP4K4TDP2TDP1ALDH2
Hydrochloric Acid SCHEMBL14353023 0.78 NOTUM (0.53) NOTUMALDH2TAAR1
SCHEMBL24196193 0.77 NOTUM (0.52) NOTUMMAP4K4TDP1ALDH1A1ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286943-A1 IL-17A MODULATORS SANOFI (FR) 2023-09-14 — — US disclosed
CN-116568676-A IL-17A modulators 赛诺菲 2023-08-08 — — CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 — — CN disclosed
US-20230227427-A1 IL-17A MODULATORS SANOFI (FR) 2023-07-20 — — US disclosed
EP-4157827-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 — — EP disclosed
EP-4157828-A1 IL-17A MODULATORS SANOFI (FR) 2023-04-05 — — EP disclosed
WO-2021239745-A1 IL-17A MODULATORS SANOFI (FR) 2021-12-02 — — WO disclosed
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives ZOETIS SERVICES LLC 2016-10-13 — — US disclosed
CN-105829311-A SPIROINDOLINE ANTIPARASITIC DERIVATIVES 硕腾服务有限责任公司 2016-08-03 — — CN disclosed
EP-2016057-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-21 — — EP disclosed
WO-2007123516-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 — — 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 (3 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-20230227427-A1 IL-17A MODULATORS IL17A, IL2, IL15 NOTUM 4359/4885MAP4K4 2759/4885TDP2 4482/4885
US-20160296499-A1 Spiroindoline Antiparasitic Derivatives PKD2, PKD1, AVPR2 NOTUM 3248/4885MAP4K4 2097/4885TDP2 3962/4885
US-20230286943-A1 IL-17A MODULATORS IL17A, IL2, IL15 NOTUM 4359/4885MAP4K4 2759/4885TDP2 4482/4885

“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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