SCHEMBL6069935

SCHEMBL6069935

CSc1nccc(C(=O)Cc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
PPARG P37231 2/20 0.43
THRB P10828 1/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NTRK1 P04629 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL2891578 0.86 LMNA (0.42) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL3053694 0.84 ANO1 (0.43) ALDH1A1TSHRLMNARAB9ASMN1; SMN2
SCHEMBL4174134 0.78 ALOX15 (0.41) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL1735064 0.77 KDM4E (0.49) ALDH1A1TSHRLMNAPPARGRAB9A
Bromide SCHEMBL29100783 0.77 ALOX15 (0.40) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
Bromide SCHEMBL29701790 0.77 ALOX15 (0.40) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL6986951 0.76 KDM4E (0.47) ALDH1A1TSHRLMNAPPARGRAB9A
SCHEMBL13202841 0.76 ALOX15 (0.42) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL750794 0.74 ALDH1A1 (0.42) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL2933353 0.73 RAB9A (0.42) ALDH1A1LMNARAB9ASMN1; SMN2NPC1

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 ALDH1A1 2110/4885TSHR 1475/4885LMNA 3409/4885

“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.