SCHEMBL433684

SCHEMBL433684

O=[N+]([O-])c1ccc(C2CC2)c(-n2nnnc2C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
MAPT P10636 2/20 0.39
MITF O75030 1/20 0.39
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
HSP90AA1 P07900 1/20 0.37
ALDH1A1 P00352 4/20 0.36
USP2 O75604 1/20 0.36
ALPG P10696 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC18A3 Q16572 1/20 0.35
PKM P14618 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL10199223 0.81 ALDH1A1 (0.33) NPC1SMN1; SMN2LMNAHTTMAPT
SCHEMBL433072 0.79 CYP17A1 (0.33) SMN1; SMN2MAPTALDH1A1CHRNB2CHRNA4
SCHEMBL1944816 0.72 ALDH1A1 (0.40) NPC1SMN1; SMN2LMNAHTTCHRNB4
SCHEMBL15323128 0.72 NPC1 (0.42) NPC1SMN1; SMN2LMNAHTTMAPT
SCHEMBL4436089 0.69 ALDH1A1 (0.53) SMN1; SMN2LMNAHTTMAPTHSP90AA1
SCHEMBL13225993 0.68 LMNA (0.44) NPC1SMN1; SMN2LMNAHTTMAPT
SCHEMBL28092025 0.67 CHRNB4 (0.67) LMNACHRNB4CHRNA3HSP90AA1ALDH1A1
SCHEMBL11441174 0.67 SMN1; SMN2 (0.46) NPC1SMN1; SMN2LMNAHTTMAPT
SCHEMBL16762154 0.66 HSP90AA1 (0.52) LMNAHTTMAPTCHRNB4CHRNA3
SCHEMBL25886876 0.66 HSP90AA1 (0.51) LMNACHRNB4CHRNA3HSP90AA1ALDH1A1

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 15 patents. 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-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-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-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-8710223-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
EP-2595982-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2013-05-29 EP 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

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 NPC1 1483/4885SMN1; SMN2 1709/4885LMNA 892/4885
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB NPC1 1483/4885SMN1; SMN2 1709/4885LMNA 892/4885

“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.