Sugi Predict

Sugi Predict / Compounds / SCHEMBL1944799

SCHEMBL1944799

SCHEMBL1944799

Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ PDE7A Q13946 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ TXNRD1 Q16881 1/20 0.43
▸ TXNRD3 Q86VQ6 1/20 0.43
▸ TXNRD2 Q9NNW7 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1459269 0.87 ALDH1A1 (0.54) ALDH1A1PDE7ACYP3A4TSHRTDP1
SCHEMBL1799874 0.82 ALDH1A1 (0.64) ALDH1A1PDE7ACYP3A4TSHRTDP1
SCHEMBL11649757 0.82 ALDH1A1 (0.50) ALDH1A1PDE7ACYP3A4TSHRTDP1
SCHEMBL1943291 0.81 ALDH1A1 (0.58) ALDH1A1PDE7ACYP3A4TSHRTDP1
SCHEMBL29623700 0.81 ALDH1A1 (0.58) ALDH1A1PDE7ACYP3A4TSHRTDP1
SCHEMBL11677753 0.80 ALDH1A1 (0.50) ALDH1A1PDE7ACYP3A4TSHRFFAR4
SCHEMBL2434889 0.79 ALDH1A1 (0.67) ALDH1A1PDE7ACYP3A4TSHRTDP1
SCHEMBL1944152 0.79 TSHR (0.47) ALDH1A1PDE7ACYP3A4TSHRTDP1
SCHEMBL9944130 0.79 ALDH1A1 (0.46) ALDH1A1PDE7ACYP3A4TSHRTDP1
SCHEMBL9186844 0.79 ALDH1A1 (0.46) ALDH1A1PDE7ACYP3A4TSHRTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2507227-B1 TETRAZOLONES AS PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2014-10-08 — — EP disclosed
EP-2507227-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2012-10-10 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 4361/4885PDE7A 205/4885CYP3A4 4316/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885PDE7A 205/4885CYP3A4 4316/4885

“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.