SCHEMBL925050

SCHEMBL925050

Cc1ccc(C(=O)Cl)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
KCNQ3 O43525 2/20 0.51
KCNQ2 O43526 2/20 0.51
KCNE1 P15382 2/20 0.51
KCNQ1 P51787 2/20 0.51
KCNQ5 Q9NR82 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MTOR P42345 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 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
SCHEMBL193625 0.83 PIM1 (0.46) HDAC1HDAC6KCNQ3KCNQ2KCNE1
SCHEMBL10703579 0.81 HDAC1 (0.63) HDAC1HDAC6KCNQ3KCNQ2KCNE1
SCHEMBL1926473 0.81 HDAC1 (0.63) HDAC1HDAC6KCNQ3KCNQ2KCNE1
SCHEMBL30881474 0.81 HDAC1 (0.63) HDAC1HDAC6KCNQ3KCNQ2KCNE1
SCHEMBL503345 0.81 HDAC1 (0.63) HDAC1HDAC6KCNQ3KCNQ2KCNE1
SCHEMBL192962 0.80 CES2 (0.67) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL29470947 0.80 CES2 (0.67) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL40769 0.80 SMN1; SMN2 (0.55) KCNQ3KCNQ2ALDH1A1KMT2ALMNA
SCHEMBL30475402 0.80 SMN1; SMN2 (0.55) KCNQ3KCNQ2ALDH1A1KMT2ALMNA
SCHEMBL6024134 0.79 HDAC1 (0.61) HDAC1HDAC6KCNQ3KCNQ2KCNE1

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 159 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011289-A1 1H-BENZO[B]AZEPIN-2(3H)-ONE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER J. MICHAEL BISHOP INSTITUTE OF CANCER RESEARCH (CN) 2025-01-09 US disclosed
CN-118525007-A 1H-benzo [ B ] azepin-2 (3H) -one compounds, compositions and methods for treating cancer 成都安泰康赛生物科技有限公司 2024-08-20 CN disclosed
CN-113845439-B Bisbenzylamide CXCR4 antagonist and preparation and application thereof 杭州师范大学 2024-02-09 CN disclosed
WO-2023088420-A1 1H-BENZO[B]AZEPIN-2(3H)-ONE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2023-05-25 WO disclosed
WO-2023088420-A1 1H-BENZO[B]AZEPIN-2(3H)-ONE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER Chengdu Anticancer Bioscience, Ltd. (CN) 2023-05-25 WO disclosed
CN-113845439-A Bibenzamide CXCR4 antagonist and preparation and application thereof 杭州师范大学 2021-12-28 CN disclosed
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 CN disclosed
WO-2021094209-A1 SUBSTITUTED PYRROLO TRIAZINE CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN EP3 RECEPTOR ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 WO disclosed
US-10781180-B2 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO disclosed
US-20020146517-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. 2002-10-10 US disclosed
EP-1225212-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-07-24 EP disclosed
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 EP disclosed
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 US disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 WO disclosed
US-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed
US-4046905-A Anti-inflammatory, analgesic and antipyretic phenylacetic acids MERCK & CO., INC. (US) 1977-09-06 US disclosed
US-3947582-A Phenylacetic acid compounds in treating abnormal platelet aggregation MERCK & CO., INC. (US) 1976-03-30 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-20250011289-A1 1H-BENZO[B]AZEPIN-2(3H)-ONE COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER BRCA1, TP53, BCCIP HDAC1 185/4885HDAC6 189/4885KCNQ3 4350/4885
US-10781180-B2 3-phenyl-pyrazole derivatives as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto HTR5A, HTR3A, HTR2A HDAC1 3146/4885HDAC6 1721/4885KCNQ3 611/4885

“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.