SCHEMBL172213

SCHEMBL172213

Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
TDP1 Q9NUW8 2/20 0.58
CYP3A4 P08684 5/20 0.53
ALDH1A1 P00352 4/20 0.53
ALOX15 P16050 3/20 0.53
GLA P06280 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 2/20 0.50
SIRT6 Q8N6T7 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AR P10275 6/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PGR P06401 2/20 0.49

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
SCHEMBL2973492 1.00 TSHR (0.58) TSHRTDP1CYP3A4ALDH1A1ALOX15
SCHEMBL2979148 0.85 ALDH1A1 (0.58) TSHRTDP1CYP3A4ALDH1A1ALOX15
SCHEMBL29420842 0.85 ALDH1A1 (0.58) TSHRTDP1CYP3A4ALDH1A1ALOX15
SCHEMBL7569166 0.82 AR (0.45) TSHRTDP1CYP3A4ALDH1A1ALOX15
SCHEMBL12972551 0.82 AR (0.45) TSHRTDP1CYP3A4ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL6574112 0.82 CYP3A4 (0.47) TSHRTDP1CYP3A4ALDH1A1ALOX15
SCHEMBL15942955 0.81 TSHR (0.52) TSHRTDP1CYP3A4ALDH1A1ALOX15
SCHEMBL2639009 0.79 SIRT6 (0.51) TSHRTDP1CYP3A4ALDH1A1ALOX15
SCHEMBL1998640 0.79 CYP3A4 (0.52) TSHRTDP1CYP3A4ALDH1A1ALOX15
SCHEMBL31138869 0.79 ALDH1A1 (0.53) TSHRTDP1CYP3A4ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240415115-A1 ANTIMICROBIAL PHOTOACTIVE NANOFIBROUS POLYMER MATERIAL LAM-X a.s. (CZ) 2024-12-19 US claimed
EP-4432833-A1 ANTIMICROBIAL PHOTOACTIVE NANOFIBROUS POLYMER MATERIAL LAM-X a.s. (CZ) 2024-09-25 EP claimed
CN-115093041-B Recycling treatment method of industrial wastewater generated in production of 5-amino-2-nitrobenzotrifluoride 杨自林 2024-02-13 CN claimed
CN-117247515-A Polyimide containing Trringer's Base element and gas separation membrane and method prepared by polyimide 西北工业大学 2023-12-19 CN claimed
CN-116854913-A Preparation method of high-impact-resistance bismaleimide resin 西北工业大学 2023-10-10 CN claimed
CN-116650662-A Method for synthesizing NO gas signal molecule mediated active nitrogen/active oxygen sensitized iron death effect nano delivery system 哈尔滨工程大学 2023-08-29 CN claimed
CN-116425644-A Water-soluble light-induced nitric oxide-releasing antibacterial supermolecule compound and preparation and application thereof 西北大学 2023-07-14 CN claimed
WO-2023088507-A1 ANTIMICROBIAL PHOTOACTIVE NANOFIBROUS POLYMER MATERIAL LAM-X a.s. (CZ) 2023-05-25 WO claimed
EP-4179874-A1 ANTIMICROBIAL PHOTOACTIVE NANOFIBROUS POLYMER MATERIAL LAM-X a.s. (CZ) 2023-05-17 EP claimed
CN-115663403-A High-flame-retardant diaphragm for lithium ion battery and preparation process thereof 江苏厚生新能源科技有限公司 2023-01-31 CN claimed
US-20130224083-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMICROELECTRONICS S.R.I. (IT) 2013-08-29 US claimed
US-8440849-B2 Use of nitroaniline derivatives for the production of nitric oxide STMICROELECTRONICS S.R.L. (IT) 2013-05-14 US claimed
CN-102417459-A Novel method for preparing 2,2 '-bis (trifluoromethyl) -4, 4' -diaminobiphenyl JUNKAI TIANJIN CHEMICAL CO LTD 2012-04-18 CN claimed
CN-102093229-A Preparation method of 4-nitro-3-trifluoromethylaniline JUNKAI TIANJIN CHEMICAL CO LTD 2011-06-15 CN claimed
US-20090191284-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE STMICROELECTRONICS S.R.I. (IT) 2009-07-30 US claimed
US-6372030-B1 INK VEHICLE SELECTED FROM 4-(HEXADECYLAMINO)BENZYLAMINE, N-OCTANOYL-N-METHYL GLUCAMINE, OCTANOIC HYDRAZIDE, 4-HEXADECYL SULFONYL ANILINE, A CONDUCTIVE COMPLEX OF AN AMINE COMPOUND WITH A PHOSPHORUS OR SULFUR-CONTAINING ACID XEROX CORPORATION 2002-04-16 US claimed
US-5354495-A Homo- or copolymerizable through ethylenic unsaturation NIPPON PAINT CO., LTD. (JP) 1994-10-11 US claimed
EP-0345688-B1 PROCESS FOR PREPARING 4-NITRO-3-TRIFLUOROMETHYL ANILINE HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-11 EP claimed
EP-0177122-B1 ACRYLAMIDE DERIVATIVES Nippon Paint Co., Ltd. (JP) 1992-04-01 EP claimed
US-4935413-A ELASTICITY, ADHESION AND DISPERSIBILITY NIPPON PAINT CO., LTD. (JP) 1990-06-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090191284-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE NOS2, NOS1, NOS3 TSHR 1469/4885TDP1 972/4885CYP3A4 358/4885
US-20130224083-A1 USE OF NITROANILINE DERIVATIVES FOR THE PRODUCTION OF NITRIC OXIDE NOS2, NOS1, NOS3 TSHR 1653/4885TDP1 1735/4885CYP3A4 315/4885

“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.