SCHEMBL1340438

SCHEMBL1340438

O=[N+]([O-])c1c(F)ccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HIF1A Q16665 1/20 0.43
VCAM1 P19320 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 4/20 0.39
CASP6 P55212 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
S100A4 P26447 1/20 0.34
GPR35 Q9HC97 1/20 0.34
ALDH3A1 P30838 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33

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
SCHEMBL29860351 1.00 ALDH1A1 (0.43) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL7513494 0.87 ALDH1A1 (0.48) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL73931 0.84 TDP1 (0.50) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL30924883 0.84 TDP1 (0.50) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL825499 0.84 TDP1 (0.50) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL23035421 0.82 ALDH1A1 (0.42) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL8598947 0.82 ALDH1A1 (0.48) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL16739101 0.82 VCP (0.40) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL20810981 0.82 ALDH1A1 (0.48) ALDH1A1HIF1AVCAM1TDP1ATM
SCHEMBL1283267 0.82 GPR35 (0.47) ALDH1A1HIF1AVCAM1TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-05-09 US disclosed
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
CN-116997550-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same and application thereof 杭州普洛药物研究院有限公司 2023-11-03 CN disclosed
CN-114853659-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same, and uses thereof 普洛药业股份有限公司 2022-08-05 CN disclosed
CN-105934426-B Aryl sulfonic acid compound and its utilization 日产化学工业株式会社 2019-01-15 CN disclosed
EP-3101003-B1 ARYL SULFONIC ACID COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2018-08-29 EP disclosed
EP-3101003-A1 ARYL SULFONIC ACID COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2016-12-07 EP disclosed
CN-105934426-A Aryl sulfonic acid compound and use thereof 日产化学工业株式会社 2016-09-07 CN disclosed
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
CN-1903840-A Process for preparing certain pyrrolotriazine compounds BRISTOL MYERS SQUIBB CO (US) 2007-01-31 CN disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 US disclosed
CN-1681508-A Novel kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-10-12 CN disclosed
CN-1665817-A Process for preparing certain pyrrolotriazine compounds BRISTOL MYERS SQUIBB CO (US) 2005-09-07 CN disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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 (5 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-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 ALDH1A1 988/4885HIF1A 1820/4885VCAM1 17/4885
US-20080119455-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885HIF1A 362/4885VCAM1 1795/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 ALDH1A1 148/4885HIF1A 475/4885VCAM1 1907/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885HIF1A 362/4885VCAM1 1795/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 ALDH1A1 192/4885HIF1A 362/4885VCAM1 1795/4885

“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.