SCHEMBL1024954

SCHEMBL1024954

O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 4/20 0.47
TSHR P16473 4/20 0.47
ALOX15 P16050 3/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR35 Q9HC97 4/20 0.42
MAPK1 P28482 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TTR P02766 1/20 0.38
CCR2 P41597 1/20 0.38
AR P10275 2/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL29672268 1.00 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRALOX15HPGD
SCHEMBL1023324 0.93 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRALOX15HPGD
SCHEMBL8372589 0.87 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRALOX15HPGD
SCHEMBL602444 0.84 TSHR (0.52) ALDH1A1CYP3A4TSHRALOX15HPGD
SCHEMBL29672221 0.84 TSHR (0.52) ALDH1A1CYP3A4TSHRALOX15HPGD
SCHEMBL1770903 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRALOX15HPGD
SCHEMBL29435964 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRALOX15HPGD
SCHEMBL5860481 0.79 CYP3A4 (0.47) ALDH1A1CYP3A4TSHRALOX15HPGD
SCHEMBL1770886 0.79 TSHR (0.47) ALDH1A1CYP3A4TSHRALOX15HPGD
SCHEMBL29937444 0.79 TSHR (0.47) ALDH1A1CYP3A4TSHRALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME CHECKMATE THERAPEUTICS INC. (KR) 2026-01-22 US disclosed
US-12479834-B2 Phenol compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2025-11-25 US disclosed
WO-2023229346-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME 주식회사 체크메이트테라퓨틱스 2023-11-30 WO disclosed
US-20230049402-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO. LTD. (JP) 2023-02-16 US disclosed
EP-4067343-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2022-10-05 EP disclosed
WO-2022101265-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-05-19 WO disclosed
WO-2022101265-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-05-19 WO disclosed
WO-2021106230-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2021-06-03 WO disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-03 US disclosed
WO-2011049221-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049222-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049220-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011049223-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-28 WO disclosed
WO-2011040629-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-07 WO disclosed
CN-102006776-A Harmful arthropod control composition, and fused heterocyclic compound SUMITOMO CHEMICAL CO 2011-04-06 CN disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
EP-2274983-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-01-19 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 (6 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-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R ALDH1A1 1245/4885CYP3A4 1181/4885TSHR 895/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 ALDH1A1 3333/4885CYP3A4 2095/4885TSHR 4828/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S ALDH1A1 883/4885CYP3A4 632/4885TSHR 1116/4885
US-12479834-B2 Phenol compound or salt thereof REN, MLX, MYB ALDH1A1 287/4885CYP3A4 2867/4885TSHR 1888/4885
US-20230049402-A1 NOVEL PHENOL COMPOUND OR SALT THEREOF MYB, MLX, EP300 ALDH1A1 235/4885CYP3A4 3428/4885TSHR 2462/4885
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME NAMPT, NAPRT, NNT ALDH1A1 789/4885CYP3A4 1175/4885TSHR 1450/4885

“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.