SCHEMBL1422153

SCHEMBL1422153

COc1ccc(Cc2nc(N)c3nc[nH]c3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR6 P50406 1/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
MPO P05164 1/20 0.41
QTRT1 Q9BXR0 1/20 0.40
MAPT P10636 1/20 0.40
LTA4H P09960 1/20 0.39
DHFR P00374 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA1 P30542 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
SCHEMBL28320162 0.82 HTR6 (0.38) ALDH1A1CYP2D6LMNASMN1; SMN2HTR6
SCHEMBL217337 0.82 ADORA1 (0.47) CYP2D6ADORA1
SCHEMBL30958478 0.82 APLNR (0.42) HTR6HTTMAPTDHFRADORA1
SCHEMBL15300300 0.82 MPO (0.41) ALDH1A1LMNASMN1; SMN2HTTHSD17B10
SCHEMBL13268694 0.81 CALM1 (0.43) ALDH1A1LMNAHTTDHFR
SCHEMBL1422155 0.79 MAPT (0.51) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL6941905 0.79 ALDH1A1 (0.50) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL16486348 0.76 ALDH1A1 (0.57) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL4237792 0.76 MAPT (0.41) ALDH1A1CYP2D6ATMLMNASMN1; SMN2
SCHEMBL27954147 0.74 ALDH1A1 (0.47) ALDH1A1CYP2D6ATMLMNASMN1; SMN2

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-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENRIFIQUE (CNRS) 2011-06-30 US disclosed
EP-2297075-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION Centre National de la Recherche Scientifique (C.N.R.S) (FR) 2011-03-23 EP disclosed
WO-2009147217-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-12-10 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-20110160228-A1 DIHYDRO-ISO-CA-4 AND ANALOGUES: POTENT CYTOTOXICS, INHIBITORS OF TUBULIN POLYMERIZATION TUBB4A, TUBA4A, TUBGCP4 ALDH1A1 2212/4885CYP2D6 1337/4885ATM 3940/4885

“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.