Sugi Predict

Sugi Predict / Compounds / SCHEMBL431632

SCHEMBL431632

SCHEMBL431632

Nc1cc([N+](=O)[O-])cc(F)c1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.41
▸ CYP3A4 P08684 5/20 0.39
▸ GAA P10253 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 8/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 5/20 0.37
▸ POLB P06746 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ APEX1 P27695 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL428307 0.77 HSP90AA1 (0.42) GPR35CYP3A4GAATHRBTSHR
SCHEMBL28257378 0.76 ALDH1A1 (0.54) GPR35CYP3A4GAATHRBALDH1A1
SCHEMBL28202994 0.74 GPR35 (0.48) GPR35CYP3A4GAATHRBTSHR
SCHEMBL22117921 0.74 GPR35 (0.48) GPR35CYP3A4GAATHRBTSHR
SCHEMBL1946039 0.74 ALDH1A1 (0.33) ALDH1A1KMT2AHIF1ACYP19A1LMNA
SCHEMBL20247014 0.74 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL27538860 0.72 ALDH1A1 (0.49) GPR35CYP3A4GAATHRBALDH1A1
SCHEMBL27538859 0.72 ALDH1A1 (0.49) GPR35CYP3A4GAATHRBALDH1A1
SCHEMBL2785910 0.72 ALDH1A1 (0.56) GPR35CYP3A4TSHRALDH1A1KMT2A
SCHEMBL433125 0.72 ALDH1A1 (0.47) GPR35CYP3A4GAATHRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 — — US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 — — US disclosed
US-9181222-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 — — US disclosed
US-9181222-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 — — US disclosed
US-9181222-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 — — 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 (3 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 GPR35 3912/4885CYP3A4 4316/4885GAA 549/4885
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB GPR35 3912/4885CYP3A4 4316/4885GAA 549/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB GPR35 3912/4885CYP3A4 4316/4885GAA 549/4885

“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.