Sugi Predict

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SCHEMBL10199223

SCHEMBL10199223

O=[N+]([O-])c1cc(-n2nnnc2C(F)(F)F)c(C2CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 6/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL431151 0.84 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL433684 0.81 NPC1 (0.42) ALDH1A1MAPTLMNAHTTMITF
SCHEMBL10199221 0.80 KCNN4 (0.30) —
SCHEMBL1945616 0.74 ALDH1A1 (0.37) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL1944326 0.74 ALDH1A1 (0.34) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL433874 0.74 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL1944857 0.72 ALDH1A1 (0.35) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL12539977 0.72 ALDH1A1 (0.35) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL1943858 0.72 ALDH1A1 (0.35) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4647775 0.70 ATM (0.44) ALDH1A1MAPTLMNAHTTMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-8710223-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-04-29 — — US disclosed
US-8710223-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-04-29 — — US disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 — — 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-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885MAPT 2530/4885MEN1 3946/4885
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885MAPT 2530/4885MEN1 3946/4885

“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.