SCHEMBL6119720

SCHEMBL6119720

Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.60
TSHR P16473 4/20 0.60
SIRT6 Q8N6T7 1/20 0.54
AR P10275 6/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
PGR P06401 2/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 2/20 0.52
CES2 O00748 1/20 0.52
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
ALOX15 P16050 1/20 0.52
TBXA2R P21731 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
SCHEMBL8002173 0.85 TSHR (0.60) CYP3A4TSHRSIRT6ARLMNA
SCHEMBL13431424 0.83 TSHR (0.62) CYP3A4TSHRARSMN1; SMN2PGR
SCHEMBL15724709 0.82 MAPK1 (0.59) CYP3A4TSHRSIRT6ARLMNA
SCHEMBL29788520 0.79 ATM (0.60) CYP3A4TSHRSIRT6ARLMNA
SCHEMBL1998640 0.79 CYP3A4 (0.52) CYP3A4TSHRSIRT6ARLMNA
SCHEMBL4310481 0.79 ALDH1A1 (0.53) CYP3A4TSHRSIRT6ARLMNA
SCHEMBL377777 0.79 ATM (0.60) CYP3A4TSHRSIRT6ARLMNA
SCHEMBL31138869 0.79 ALDH1A1 (0.53) CYP3A4TSHRSIRT6ARLMNA
SCHEMBL2639009 0.79 SIRT6 (0.51) CYP3A4TSHRSIRT6ARLMNA
SCHEMBL13208348 0.79 AR (0.54) CYP3A4TSHRSIRT6ARLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 EP disclosed
EP-2445343-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2021-08-04 EP disclosed
EP-3428162-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-05-05 EP disclosed
EP-3331852-B1 SUBSTITUTED MALONAMIDES AND THEIR USE AS ANTIBACTERIAL DRUGS UNIV NAT TAIWAN (TW) 2020-12-23 EP disclosed
US-10800732-B2 Substituted malonamides and their use as antibacterial drugs NATIONAL TAIWAN UNIVERSITY (TW) 2020-10-13 US disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed
EP-3428162-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial Inc. (US) 2019-01-16 EP disclosed
EP-2922845-B1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL INC (US) 2018-06-20 EP disclosed
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 US disclosed
US-7214693-B2 Heterocyclic selective androgen receptor modulators and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
US-7214693-B2 Heterocyclic selective androgen receptor modulators and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed
EP-1775289-A1 NOVEL IMIDAZOLIDINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-04-18 EP disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-4749813-A 4-alkyl-2-trifluoromethylanilines BAYER AKTIENGESELLSCHAFT (DE) 1988-06-07 US disclosed
EP-0084320-B1 4-ALKYL-2-TRIFLUOROMETHYL ANILINES BAYER AG (DE) 1985-08-28 EP disclosed
EP-0084320-A2 4-Alkyl-2-trifluoromethyl anilines BAYER AG (DE) 1983-07-27 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-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 CYP3A4 4880/4885TSHR 1037/4885SIRT6 4132/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA CYP3A4 2058/4885TSHR 1939/4885SIRT6 3032/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA CYP3A4 2041/4885TSHR 3558/4885SIRT6 1069/4885
US-10800732-B2 Substituted malonamides and their use as antibacterial drugs NAAA, MAL2, MGAM CYP3A4 982/4885TSHR 4749/4885SIRT6 241/4885

“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.