SCHEMBL615414

SCHEMBL615414

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.64
TSHR P16473 3/20 0.58
LMNA P02545 2/20 0.54
AR P10275 4/20 0.52
CYP3A4 P08684 2/20 0.52
CES2 O00748 1/20 0.52
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
TBXA2R P21731 1/20 0.52
AADAC P22760 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL29886656 0.87 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL1265098 0.87 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL6313229 0.85 AR (0.58) TSHRLMNAARCYP3A4CES2
SCHEMBL11696452 0.85 AR (0.51) CASP6TSHRLMNAARCYP3A4
SCHEMBL2973491 0.85 PARP1 (0.55) CASP6TSHRLMNAARCYP3A4
SCHEMBL28024247 0.84 CES2 (0.58) CASP6TSHRLMNAARCYP3A4
SCHEMBL27601228 0.84 MAPK1 (0.62) CASP6TSHRLMNAARCYP3A4
SCHEMBL16952502 0.83 AR (0.52) TSHRLMNAARCYP3A4CES2
SCHEMBL20690493 0.83 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
Oxalic Acid SCHEMBL28298284 0.82 MAPK1 (0.59) CASP6TSHRLMNAARCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122006666-A Preparation method and application of traditional Chinese medicine component magnetic nanospheres 上海工程技术大学 2026-05-12 CN claimed
US-10546303-B2 Optically visible carbon nanotube with nanocrystals decoration as unique ID INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-01-28 US claimed
US-20180276682-A1 Optically Visible Carbon Nanotube with Nanocrystals Decoration as Unique ID INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-09-27 US claimed
CN-122006666-A Preparation method and application of traditional Chinese medicine component magnetic nanospheres 上海工程技术大学 2026-05-12 CN disclosed
EP-4605392-A1 METHODS FOR TREATING CANCER Antares Therapeutics, Inc. (US) 2025-08-27 EP disclosed
US-20250223299-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2025-07-10 US disclosed
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
WO-2024086809-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed
CN-113929635-B 1, 6-diphenyl-1H-benzo [ d ] [1,2,3] triazole compound and preparation method and application thereof 沈阳药科大学 2023-08-22 CN disclosed
EP-4168030-A1 NOVEL ANTIBACTERIAL HYDROGELS NewSouth Innovations Pty Limited (AU) 2023-04-26 EP disclosed
US-20230123497-A1 NOVEL ANTIBACTERIAL HYDROGELS NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2023-04-20 US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 US disclosed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed
EP-1937699-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-07-02 EP disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 WO disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 WO disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
US-5081124-A Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-14 US disclosed
EP-0239362-B1 ANTI-TUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
EP-0239362-A2 Anti-tumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 EP 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-20250223299-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE SLC10A1, HNMT, OGFR CASP6 2925/4885TSHR 1150/4885LMNA 1620/4885
US-20230123497-A1 NOVEL ANTIBACTERIAL HYDROGELS CUTA, COL1A1, NACA CASP6 643/4885TSHR 4108/4885LMNA 3806/4885
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use SLC10A1, HNMT, OGFR CASP6 2925/4885TSHR 1150/4885LMNA 1620/4885
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 CASP6 2085/4885TSHR 289/4885LMNA 2198/4885

“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.