SCHEMBL10185070

SCHEMBL10185070

COCCOc1cc(C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ RECQL P46063 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 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
SCHEMBL31053807 1.00 KDM4E (0.50) KDM4EKMT2AHTTALDH1A1MAPT
SCHEMBL1138887 0.87 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1MAPTCYP1A2
SCHEMBL4602068 0.84 SMN1; SMN2 (0.42) KDM4EKMT2AHTTALDH1A1MAPT
SCHEMBL27808591 0.82 ALDH1A1 (0.51) KDM4EKMT2AHTTALDH1A1MAPT
SCHEMBL23144086 0.82 ALDH1A1 (0.51) KMT2AALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL29811691 0.82 ALDH1A1 (0.51) KMT2AALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11745283 0.82 KMT2A (0.58) KDM4EKMT2AHTTALDH1A1MAPT
SCHEMBL11740971 0.82 KMT2A (0.58) KDM4EKMT2AHTTALDH1A1MAPT
SCHEMBL2833379 0.81 NPC1 (0.54) KDM4EKMT2AHTTALDH1A1MAPT
SCHEMBL29382840 0.81 NPC1 (0.54) KDM4EKMT2AHTTALDH1A1MAPT

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-20250171417-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2025-05-29 — — US disclosed
CN-118475567-A Heterocyclic derivative, composition and pharmaceutical application thereof 西藏海思科制药有限公司 2024-08-09 — — CN disclosed
EP-4385985-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-06-19 — — EP disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 — — WO disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 — — WO disclosed
US-9790210-B2 N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 — — US disclosed
US-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 — — US disclosed
WO-2014078325-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 — — WO disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 — — US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 — — US disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 — — 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-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TNNI3K KDM4E 1801/4885KMT2A 3547/4885HTT 1269/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF KDM4E 2722/4885KMT2A 2394/4885HTT 4150/4885
US-20250171417-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF AR, BCKDK, CYP11B2 KDM4E 2045/4885KMT2A 1942/4885HTT 2021/4885

“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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