SCHEMBL17084471

SCHEMBL17084471

CCOC(=O)c1nc(Cl)cc(NC2CCCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
CASP3 P42574 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NR2F2 P24468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
S1PR2 O95136 1/20 0.44
XBP1 P17861 1/20 0.44
RAB9A P51151 1/20 0.44
PPP1CA P62136 1/20 0.44
OPRK1 P41145 4/20 0.43
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
FAAH O00519 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL21143992 0.86 IDH1 (0.40) ALOX15S1PR2OPRK1NOS1NOS2
SCHEMBL15615320 0.81 NOS2 (0.52) MEN1KMT2ANPSR1ALDH1A1LMNA
SCHEMBL17084453 0.79 ALOX15 (0.48) ALOX15CASP3MEN1KMT2ANR2F2
SCHEMBL15615316 0.77 KMT2A (0.48) ALOX15MEN1KMT2AALDH1A1S1PR2
SCHEMBL24759432 0.74 KDM4E (0.45) KMT2ANPSR1ALDH1A1LMNAKDM4E
SCHEMBL496019 0.73 NR2F2 (0.53) ALOX15TDP1CASP3MEN1KMT2A
SCHEMBL3037603 0.72 S1PR1 (0.56) ALOX15MEN1KMT2A
SCHEMBL3124028 0.72 MEN1 (0.54) TDP1MEN1KMT2AALDH1A1LMNA
SCHEMBL21949165 0.72 ALOX15 (0.55) ALOX15MEN1KMT2ANR2F2NPSR1
SCHEMBL2773911 0.71 S1PR1 (0.54) ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170182049-A1 NOVEL THERAPEUTICS FOR BRAIN CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 US disclosed
US-20150259326-A1 NOVEL THERAPEUTICS FOR BRAIN CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-09-17 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 (2 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-20150259326-A1 NOVEL THERAPEUTICS FOR BRAIN CANCER ING2, GMFG, PLP2 ALOX15 3197/4885TDP1 3722/4885CASP3 3626/4885
US-20170182049-A1 NOVEL THERAPEUTICS FOR BRAIN CANCER ING2, GMFG, PLP2 ALOX15 3197/4885TDP1 3722/4885CASP3 3626/4885

“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.