SCHEMBL9911657

SCHEMBL9911657

O=C(NC1CC1)c1ncc(-c2cccs2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
RAB9A P51151 4/20 0.56
HPGD P15428 4/20 0.56
NPC1 O15118 3/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FAAH O00519 1/20 0.51
CES1 P23141 1/20 0.51
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL30301352 0.77 CES1 (0.53) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL30301351 0.77 CES1 (0.53) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL509365 0.76 RAB9A (0.90) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL9911659 0.75 DGAT1 (0.51) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL9911656 0.74 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL9911599 0.72 RAB9A (0.95) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL4284108 0.72 NPC1 (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL4280110 0.72 RAB9A (0.80) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL4280117 0.71 NPC1 (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD
SCHEMBL4291514 0.71 NPC1 (1.00) ALDH1A1MEN1KMT2ARAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364467-A1 CHEMICAL INDUCERS OF NEUROGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-12-11 US disclosed
US-8778940-B2 Chemical inducers of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 US disclosed
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-06 US disclosed
US-8193225-B2 Isoxazole amides, derivatives and methods of chemical induction of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-06-05 US disclosed
US-8193225-B2 Isoxazole amides, derivatives and methods of chemical induction of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-06-05 US disclosed
US-20090036451-A1 Chemical inducers of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-02-05 US disclosed
US-20090036451-A1 Chemical inducers of neurogenesis THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-02-05 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 (3 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-20140364467-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 ALDH1A1 415/4885MEN1 3223/4885KMT2A 1862/4885
US-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 ALDH1A1 415/4885MEN1 3223/4885KMT2A 1862/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 ALDH1A1 415/4885MEN1 3223/4885KMT2A 1862/4885

“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.