SCHEMBL679009

SCHEMBL679009

CC(C)(C)C(=O)CSc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
ALDH1A1 P00352 9/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 3/20 0.57
NPC1 O15118 2/20 0.57
HSD17B10 Q99714 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALOX15 P16050 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
PKM P14618 1/20 0.56
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DUSP10 Q9Y6W6 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.50

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
SCHEMBL12092097 0.84 EHMT2 (0.48) LMNAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL13461017 0.81 LMNA (0.64) LMNAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL19403428 0.80 LMNA (0.67) LMNAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL29987569 0.79 ALDH1A1 (0.69) LMNAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL437152 0.79 ALDH1A1 (0.69) LMNAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL13463981 0.78 LMNA (0.65) LMNAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5717736 0.77 KMT2A (0.61) LMNAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL11710565 0.77 KMT2A (0.61) LMNAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL7358597 0.77 KMT2A (0.61) LMNAALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL8429722 0.77 LMNA (0.58) LMNAALDH1A1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 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 (1 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 LMNA 1863/4885ALDH1A1 749/4885RAB9A 2539/4885

“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.