SCHEMBL23429366

SCHEMBL23429366

CC(C)c1c(O)nc2ccccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 1/20 0.47
MAPT P10636 2/20 0.47
USP7 Q93009 4/20 0.46
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL12146428 0.81 KMT2A (0.51) ALDH1A1KDM4EGAANPC1GLA
SCHEMBL11892536 0.81 KDM4E (0.51) ALDH1A1KDM4EGAANPC1GLA
SCHEMBL15077046 0.80 KDM4E (0.51) ALDH1A1KDM4EGAANPC1GLA
SCHEMBL9923899 0.78 PTGS1 (0.60) ALDH1A1KDM4EGAANPC1GLA
SCHEMBL23022393 0.78 MAPT (0.55) ALDH1A1KDM4EGAANPC1GLA
SCHEMBL18293601 0.77 NPC1 (0.58) ALDH1A1KDM4EGAANPC1GLA
SCHEMBL23890932 0.77 USP7 (0.52) ALDH1A1KDM4EGAANPC1GLA
SCHEMBL20989674 0.77 KDM4E (0.44) ALDH1A1KDM4EGAANPC1GLA
SCHEMBL9893347 0.77 PTGS1 (0.59) ALDH1A1KDM4EGAANPC1GLA
Hydrochloric Acid SCHEMBL9893428 0.77 PTGS1 (0.59) ALDH1A1KDM4EGAANPC1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA, INC. 2021-06-03 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-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 ALDH1A1 3869/4885KDM4E 3685/4885GAA 4050/4885

“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.