SCHEMBL6070876

SCHEMBL6070876

CSc1nccc(C(=O)/C(=C/N(C)C)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
NTRK1 P04629 1/20 0.34
PFKFB3 Q16875 1/20 0.34
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32

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
SCHEMBL6070883 1.00 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL2925772 0.90 LMNA (0.38) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL2925771 0.90 LMNA (0.38) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL29259340 0.83 ALOX15 (0.36) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9956904 0.80 ALOX15 (0.33) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL9956901 0.80 ALOX15 (0.33) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL1554250 0.78 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9AALDH1A1LMNA
SCHEMBL1555344 0.78 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9AALDH1A1LMNA
SCHEMBL1554251 0.78 ALDH1A1 (0.38) SMN1; SMN2KMT2ARAB9AALDH1A1LMNA
SCHEMBL4053242 0.77 CES2 (0.39) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1

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-7109204-B2 controlling signal transduction; anticancer agents, antitumor agents, atherosclerosis, vision defects, antidiabetic agents, antiinflammatory agents MERCK & CO., INC. (US) 2006-09-19 US disclosed
US-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals MERCK SHARP & DOHME CORP. 2004-11-25 US disclosed
WO-2003011837-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 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 (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-20040235875-A1 drugs used for signal transduction modulation, and for prophylaxis of angiogenesis, cancers, tumors, atherosclerosis, vision disorders and inflammatory diseases in mammals FLT4, KDR, FLT1 SMN1; SMN2 4666/4885MEN1 3750/4885KMT2A 4691/4885

“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.