SCHEMBL4481763

SCHEMBL4481763

NC(=O)C(c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX1 P07099 2/20 0.53
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47

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
Fluorobenzene SCHEMBL7193680 0.96 MEN1 (0.53) MEN1KMT2AEPHX1HDAC3HDAC4
SCHEMBL4480606 0.92 HDAC3 (0.57) MEN1KMT2AEPHX1HDAC3HDAC4
SCHEMBL741751 0.87 MEN1 (0.58) MEN1KMT2AEPHX1HDAC3HDAC4
Hydrochloric Acid SCHEMBL8550499 0.85 MEN1 (0.56) MEN1KMT2AEPHX1HDAC3HDAC4
SCHEMBL3985471 0.83 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27545340 0.83 HDAC3 (0.53) EPHX1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28038711 0.82 KMT2A (0.54) MEN1KMT2AEPHX1HDAC3HDAC4
Acetic Acid SCHEMBL9853044 0.81 MEN1 (0.53) MEN1KMT2AEPHX1HDAC3HDAC4
SCHEMBL28807102 0.80 MEN1 (0.53) MEN1KMT2AEPHX1HDAC3HDAC4
SCHEMBL7758852 0.80 MEN1 (0.77) MEN1KMT2AEPHX1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115943138-A Compositions comprising GARDOS channel antagonists and uses thereof 阿迪玛生物有限责任公司 2023-04-07 CN claimed
CN-112020353-A Crystal form A of 2, 2-bis (4-fluorophenyl) -2-phenylacetamide and preparation method and application thereof 深圳仁泰医药科技有限公司 2020-12-01 CN claimed
CN-105246891-A Novel compounds for the treatment of cancer Bayer Pharma AG 2016-01-13 CN claimed
CN-115943138-A Compositions comprising GARDOS channel antagonists and uses thereof 阿迪玛生物有限责任公司 2023-04-07 CN disclosed
CN-115943138-A Compositions comprising GARDOS channel antagonists and uses thereof 阿迪玛生物有限责任公司 2023-04-07 CN disclosed
CN-112020489-B Crystal form A of 2- (2, 5-dioxopyrrolidine-1-yl) ethyl methyl fumarate and preparation method and application thereof 深圳仁泰医药科技有限公司 2022-06-21 CN disclosed
CN-112020353-A Crystal form A of 2, 2-bis (4-fluorophenyl) -2-phenylacetamide and preparation method and application thereof 深圳仁泰医药科技有限公司 2020-12-01 CN disclosed
CN-112020353-A Crystal form A of 2, 2-bis (4-fluorophenyl) -2-phenylacetamide and preparation method and application thereof 深圳仁泰医药科技有限公司 2020-12-01 CN disclosed
CN-112020489-A Crystal form A of 2- (2, 5-dioxopyrrolidine-1-yl) ethyl methyl fumarate and preparation method and application thereof 深圳仁泰医药科技有限公司 2020-12-01 CN disclosed
CN-112020353-A Crystal form A of 2, 2-bis (4-fluorophenyl) -2-phenylacetamide and preparation method and application thereof 深圳仁泰医药科技有限公司 2020-12-01 CN disclosed
CN-105246891-A Novel compounds for the treatment of cancer Bayer Pharma AG 2016-01-13 CN disclosed
US-7582651-B2 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-01 US disclosed
CN-101437403-A Treatment methods using triaryl methane compounds ICAGEN INC (US) 2009-05-20 CN disclosed
US-20060167038-A1 Pyrrolopyridine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1535922-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 EP disclosed
CN-1193748-C Gardos channel antagonists ICAGEN INC (US) 2005-03-23 CN disclosed
CN-1344158-A Gardos channel antagonists ICAGEN INC (US) 2002-04-10 CN 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-20060167038-A1 Pyrrolopyridine derivative and use thereof OPRD1, TRPV1, OPRM1 MEN1 4657/4885KMT2A 3881/4885EPHX1 1906/4885

“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.