Sugi Predict

Sugi Predict / Compounds / SCHEMBL429241

SCHEMBL429241

SCHEMBL429241

Nc1cc(F)c(Br)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ TDP1 Q9NUW8 5/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ MAPT P10636 5/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ VCAM1 P19320 1/20 0.38
▸ PDE7A Q13946 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 2/20 0.37

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
SCHEMBL29782441 0.80 ERN1 (0.44) ALDH1A1TDP1CYP3A4MAPTSMN1; SMN2
SCHEMBL17699766 0.80 ERN1 (0.44) ALDH1A1TDP1CYP3A4MAPTSMN1; SMN2
SCHEMBL5500140 0.80 ATM (0.53) ALDH1A1TDP1CYP3A4MAPTSMN1; SMN2
SCHEMBL7030676 0.80 TDP1 (0.48) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL430969 0.78 ALDH1A1 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL19071954 0.77 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL429810 0.77 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL5840087 0.77 CYP3A4 (0.56) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL25426062 0.77 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL12950315 0.77 TSHR (0.52) ALDH1A1TDP1CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368036-B1 MACROCYCLIC PYRIDINE-N-OXIDE DERIVATIVES AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-07-20 — — EP disclosed
CN-108430471-B Factor XIa inhibitors 默沙东公司 2021-07-09 — — CN disclosed
US-20180339977-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-29 — — US disclosed
EP-3368036-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-09-05 — — EP disclosed
EP-2595982-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-06-13 — — EP disclosed
EP-2595982-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-06-13 — — EP disclosed
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 — — US disclosed
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 — — US disclosed
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 — — US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 — — US disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 — — US disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 — — US disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 — — US disclosed
WO-2012012619-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012619-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2011068898-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2011-06-09 — — WO disclosed
WO-2011068898-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2011-06-09 — — WO disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 — — US disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 — — US disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 — — US 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-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885TDP1 754/4885CYP3A4 4316/4885
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885TDP1 754/4885CYP3A4 4316/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885TDP1 754/4885CYP3A4 4316/4885
US-20180339977-A1 FACTOR XIA INHIBITORS F11, SERPINC1, TFPI ALDH1A1 3635/4885TDP1 2917/4885CYP3A4 1711/4885

“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.