SCHEMBL4520380

SCHEMBL4520380

O=[N+]([O-])c1cccc(Br)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 6/20 0.40
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
NOS1 P29475 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS2 P35228 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
S100A4 P26447 1/20 0.39
AR P10275 1/20 0.38

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
SCHEMBL30834568 0.85 AR (0.43) TDP1ALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL9694041 0.79 TDP1 (0.47) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL1995565 0.79 TDP1 (0.47) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL4728834 0.78 HPGD (0.46) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL28303063 0.78 ALDH1A1 (0.46) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL9905068 0.78 TDP1 (0.45) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL16953540 0.78 TDP1 (0.45) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL10338398 0.78 TSHR (0.58) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL11375306 0.78 GPR35 (0.56) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL28284185 0.77 AR (0.45) TDP1ALDH1A1TSHRSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-01-08 US disclosed
CN-104884453-B Anthelmintic compounds and compositions and methods of using the same 梅里亚股份有限公司 2018-06-22 CN disclosed
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
EP-3233802-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF Bayer Pharma Aktiengesellschaft (DE) 2017-10-25 EP disclosed
CN-107257790-A Substituted pyridyl ring alkyl carboxylic acid, include their compositions and its medical usage 拜耳医药股份有限公司 2017-10-17 CN disclosed
WO-2016097013-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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 (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-10172814-B2 Substituted pyridyl-cycloalkyl-carboxylic acids, compositions containing them and medical uses thereof PTGER1, PTGES, PTGES3 TDP1 3966/4885GPR35 57/4885ALDH1A1 172/4885
US-20170354620-A1 SUBSTITUTED PYRIDYL-CYCLOALKYL-CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING THEM AND MEDICAL USES THEREOF PTGER1, PTGES, PTGES3 TDP1 3966/4885GPR35 57/4885ALDH1A1 172/4885
US-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 TDP1 1668/4885GPR35 134/4885ALDH1A1 2990/4885

“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.