Sugi Predict

Sugi Predict / Compounds / SCHEMBL7681001

SCHEMBL7681001

SCHEMBL7681001

Nc1cc([N+](=O)[O-])ccc1OC(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.63
▸ HTT P42858 2/20 0.51
▸ CYP3A4 P08684 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ MAPT P10636 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ AKR1C3 P42330 1/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ PDE7A Q13946 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ GFER P55789 2/20 0.42
▸ HSPB1 P04792 2/20 0.41

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
SCHEMBL16923592 0.88 HTT (0.62) TDP1HTTCYP3A4GAATHRB
SCHEMBL9367150 0.84 AKR1C3 (0.50) TDP1HTTTSHRALDH1A1MAPT
SCHEMBL10916019 0.81 CYP1A2 (0.52) TDP1HTTALDH1A1MAPTMEN1
SCHEMBL8643566 0.81 HSPB1 (0.51) TDP1HTTTSHRALDH1A1MAPT
SCHEMBL397137 0.81 HSPB1 (0.56) TDP1HTTGAATSHRALDH1A1
SCHEMBL30062398 0.81 HSPB1 (0.56) TDP1HTTGAATSHRALDH1A1
SCHEMBL11296547 0.80 TDP1 (0.73) TDP1HTTCYP3A4GAATHRB
SCHEMBL7686888 0.80 HSD17B10 (0.55) CYP3A4GAAALDH1A1MAPTMEN1
SCHEMBL9203312 0.80 ALDH1A1 (0.55) TDP1HTTCYP3A4TSHRALDH1A1
SCHEMBL31721280 0.80 GPR35 (0.51) TDP1HTTGAATHRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739306-A2 POLO-LIKE KINASE 1 INHIBITORS Cervero Therapeutics, LLC (US) 2026-05-13 — — EP disclosed
EP-2844642-B1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMA INC (US) 2019-11-13 — — EP disclosed
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 — — US disclosed
US-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 — — EP disclosed
US-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-27 — — US disclosed
EP-3119787-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS Bayer Pharma Aktiengesellschaft (DE) 2017-01-25 — — EP disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 — — US disclosed
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-25 — — US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 — — US disclosed
WO-2013169401-A1 COMPOUNDS FOR INHIBITING CELL PROLIFERATION IN EGFR-DRIVEN CANCERS ARIAD PHARMACEUTICALS, INC. (US) 2013-11-14 — — WO disclosed
US-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides MUSIL TIBOR (GB) 2002-04-18 — — US disclosed
US-6323155-B1 EXCELLENT LEVEL OF HERBICIDAL ACTIVITY TOGETHER WITH CROP TOLERANCE RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-11-27 — — US disclosed
EP-0788491-B1 6-POLYFLUOROALKOXY AND 6-POLYFLUOROALKYL-2-AMINOBENZOTHIAZOLE DERIVATIVES RHONE POULENC RORER SA (FR) 1999-12-01 — — EP disclosed
US-5795903-A 6-polyfluoroalkoxy-and 6-polyfluoroalkyl-2-aminobenzothiazole derivatives RHONE-POULENC RORER S.A. (FR) 1998-08-18 — — US disclosed
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 — — EP disclosed
EP-0788491-A1 6-POLYFLUOROALKOXY AND 6-POLYFLUOROALKYL-2-AMINOBENZOTHIAZOLE DERIVATIVES Aventis Pharma S.A. (FR) 1997-08-13 — — EP disclosed
WO-1996013492-A1 6-POLYFLUOROALKOXY AND 6-POLYFLUOROALKYL-2-AMINOBENZOTHIAZOLE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-05-09 — — WO disclosed
EP-0674629-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-10-04 — — EP disclosed
WO-1994014782-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1994-07-07 — — WO 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-20160263122-A1 NOVEL COMPOUNDS NAT1, AADAC, CBR3 TDP1 4213/4885HTT 1530/4885CYP3A4 131/4885
US-20170114070-A1 INHIBITORS OF THE WNT SIGNALLING PATHWAYS WNT1, WNT3A, CTNNB1 TDP1 3550/4885HTT 2314/4885CYP3A4 3978/4885
US-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 TDP1 1992/4885HTT 1838/4885CYP3A4 1384/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 TDP1 4346/4885HTT 1320/4885CYP3A4 113/4885
US-20160244469-A1 Compounds for Inhibiting Cell Proliferation in EGFR-Driven Cancers EGFR, MKI67, ERBB2 TDP1 4383/4885HTT 3952/4885CYP3A4 2447/4885
US-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides CBR3, CBR1, GLRA3 TDP1 3649/4885HTT 2895/4885CYP3A4 129/4885

“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.