SCHEMBL9157

SCHEMBL9157

CC(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.57
ITGA5 P08648 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HIF1A Q16665 1/20 0.55
MAPT P10636 5/20 0.54
MAPK1 P28482 2/20 0.52
VCAM1 P19320 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
PDE7A Q13946 1/20 0.51
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TTR P02766 1/20 0.49
TSHR P16473 1/20 0.49
CASP6 P55212 1/20 0.49
RAB9A P51151 1/20 0.48
MCL1 Q07820 1/20 0.48

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
SCHEMBL29721575 1.00 ITGB1 (0.57) ITGB1ITGA5ALDH1A1HIF1AMAPT
Acetic Acid SCHEMBL28375520 0.97 MAPT (0.55) ITGB1ITGA5ALDH1A1HIF1AMAPT
SCHEMBL27737497 0.92 ITGB1 (0.51) ITGB1ITGA5ALDH1A1HIF1AMAPT
SCHEMBL16950916 0.87 ALDH1A1 (0.56) ITGB1ITGA5ALDH1A1HIF1AMAPT
SCHEMBL11248434 0.86 ATM (0.56) ITGB1ITGA5ALDH1A1MAPTMAPK1
SCHEMBL4605109 0.85 VCAM1 (0.62) ITGB1ITGA5ALDH1A1HIF1AMAPT
SCHEMBL31526754 0.84 ALDH1A1 (0.53) ITGB1ITGA5ALDH1A1HIF1AMAPT
SCHEMBL13835694 0.84 VCAM1 (0.54) ITGB1ITGA5ALDH1A1HIF1AMAPT
SCHEMBL8626465 0.84 TTR (0.62) ITGB1ITGA5ALDH1A1HIF1AMAPT
SCHEMBL24994 0.84 CASP6 (0.70) ALDH1A1HIF1AMAPTVCAM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621194-B 4-methylene-N-hydroxybenzoamide compound and application thereof 沈阳药科大学 2023-08-29 CN claimed
CN-101407463-A Catalytic synthesis process for 4-fluoro-3-nitrophenol UNIV TIANJIN POLYTECHNIC (CN) 2009-04-15 CN claimed
CN-119505139-A Polymer containing nitro carbon chain, polymer binder, polymer film and application thereof 武汉立膜科技有限公司 2025-02-25 CN disclosed
WO-2025037871-A1 TRICYCLIC COMPOUND AND USE THEREOF AS MAT2A INHIBITOR 에스케이바이오팜 주식회사 2025-02-20 WO disclosed
WO-2025015167-A2 ERASTIN KETONE ANALOGS AND USES THEREOF EXARTA THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed
US-20240228482-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER HOTSPOT THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
CN-114621194-B 4-methylene-N-hydroxybenzoamide compound and application thereof 沈阳药科大学 2023-08-29 CN disclosed
WO-1996033194-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS MODULATORS OF THE GABA A RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 1996-10-24 WO disclosed
EP-0705100-A4 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1996-05-29 EP disclosed
EP-0705100-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-04-10 EP disclosed
WO-1994027591-A1 THERAPEUTIC SUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1994-12-08 WO disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 US disclosed
EP-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 EP disclosed
US-4125614-A DIURETIC HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-14 US disclosed
US-4061761-A Thiazolidine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed
US-3933472-A Substituted alkylaryl ketones and methods of use as herbicides BUCKMAN LABORATORIES, INC. (US) 1976-01-20 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 (4 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-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS EP300, HDAC1, BRD3 ITGB1 2459/4885ITGA5 3960/4885ALDH1A1 2743/4885
US-20240228482-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER TP53, CASP3, BAX ITGB1 2918/4885ITGA5 1751/4885ALDH1A1 338/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ITGB1 3402/4885ITGA5 4392/4885ALDH1A1 4316/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS ITGB1 3402/4885ITGA5 4392/4885ALDH1A1 4316/4885

“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.