SCHEMBL749086

SCHEMBL749086

C[C](C)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C1S P09871 1/20 0.56
▸ PARP1 P09874 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MTOR P42345 2/20 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
SCHEMBL16962938 0.83 C1S (0.54) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL992992 0.81 C1S (0.52) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL28062914 0.81 C1S (0.52) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL3178752 0.81 C1S (0.63) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL29364384 0.81 C1S (0.52) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL28879914 0.81 C1S (0.52) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL30277354 0.81 PARP1 (0.63) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL3169 0.81 PARP1 (0.63) C1SPARP1L3MBTL1ALDH1A1TP53
SCHEMBL1551882 0.81 FURIN (0.46) PARP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL16955875 0.79 C1S (0.50) C1SPARP1L3MBTL1ALDH1A1TP53

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
CN-103254221-B Polysubstituted derivatives of 2-heteroaryl-6-phenylimidazo [1,2-a ] pyridine and process for their preparation SANOFI AVENTIS 2014-11-19 — — CN disclosed
CN-102036987-B Polysubstituted derivatives of 2-heteroaryl-6-phenylimidazo [1,2-a ] pyridines, process for their preparation and their therapeutic use SANOFI AVENTIS 2014-01-01 — — CN disclosed
CN-103254221-A Polysubstituted derivatives of 2-heteroaryl-6-phenylimidazo [1,2-a ] pyridines, process for their preparation and their therapeutic use SANOFI AVENTIS 2013-08-21 — — CN disclosed
CN-102458123-A Aryl, heteroaryl, and heterocycle substituted tetrahydroisoquinolines and use thereof ALBANY MOLECULAR RES INC 2012-05-16 — — CN disclosed
EP-2429295-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-03-21 — — EP disclosed
WO-2010132437-A1 ARYL, HETEROARYL, AND HETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2010-11-18 — — WO disclosed
CN-1694870-A Acetyl 2-hydroxy-1, 3-diaminoalkanes PHARMACIA & UPJOHN CO LLC (US) 2005-11-09 — — CN disclosed
US-5965613-A FUNGICIDES FOR USE IN AGRICULTURE AND HORTICULTURE; THE COMPOUNDS ALSO HAVE INSECTICIDAL AND ACARICIDAL ACTIVITY NOVARTIS FINANCE CORPORATION (US) 1999-10-12 — — 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 (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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 C1S 2634/4885PARP1 1166/4885L3MBTL1 3787/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 C1S 2634/4885PARP1 1166/4885L3MBTL1 3787/4885

“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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