SCHEMBL7557643

SCHEMBL7557643

COc1ccc2[nH]cc(C=C3SC(=O)N(c4ccc(C=C5SC(=O)NC5=O)cc4)C3=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PIM1 P11309 2/20 0.50
AKR1B1 P15121 2/20 0.50
PIM2 Q9P1W9 2/20 0.50
HSD17B3 P37058 1/20 0.49
ATM Q13315 1/20 0.48
NTRK1 P04629 2/20 0.46
PRKD3 O94806 1/20 0.46
ABL1 P00519 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
LTK P29376 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
FLT3 P36888 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK8 P49336 1/20 0.46
CDK7 P50613 1/20 0.46

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
SCHEMBL7557103 0.86 PTPN1 (0.56) HPGDKDM4EMEN1KMT2APOLB
SCHEMBL20615249 0.85 PIM1 (0.49) PIM1AKR1B1PIM2HPGDMEN1
SCHEMBL8204792 0.78 POLB (0.58) GSK3BNPC1RAB9APIM1AKR1B1
SCHEMBL8204790 0.78 POLB (0.58) GSK3BNPC1RAB9APIM1AKR1B1
SCHEMBL7557641 0.73 GSK3B (0.73) GSK3BNPC1RAB9APIM1AKR1B1
SCHEMBL7557646 0.73 GSK3B (0.73) GSK3BNPC1RAB9APIM1AKR1B1
SCHEMBL14197267 0.72 MEN1 (0.56) NPC1RAB9APIM1AKR1B1PIM2
SCHEMBL12891965 0.72 PTPN1 (0.69) HPGDKDM4EMEN1KMT2APOLB
SCHEMBL1249365 0.72 PTPN1 (0.69) HPGDKDM4EMEN1KMT2APOLB
SCHEMBL1249362 0.72 PTPN1 (0.69) HPGDKDM4EMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020115700-A1 Substituted indole compounds and methods of their use CHIN ALLISON C (US) 2002-08-22 US disclosed
US-6372742-B1 TELOMERASE ENZYME INHIBITORS AND ANTICANCER AGENTS GERON CORPORATION 2002-04-16 US disclosed
EP-1109808-A1 SUBSTITUTED INDOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002394-A1 SUBSTITUTED INDOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER GERON CORPORATION (US) 2001-01-11 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-20020115700-A1 Substituted indole compounds and methods of their use TERT, INMT, POT1 GSK3B 451/4885NPC1 3608/4885RAB9A 4000/4885

“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.