SCHEMBL9911636

SCHEMBL9911636

O=C(NC1CC1)c1cc(-c2ccsc2)on1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 5/20 0.63
NPC1 O15118 13/20 0.62
RAB9A P51151 13/20 0.62
S1PR1 P21453 2/20 0.61
KMT2A Q03164 5/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 4/20 0.58
MLLT3 P42568 2/20 0.57
TRPV1 Q8NER1 1/20 0.56
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL15099490 0.80 NPC1 (0.90) MLLT1NPC1RAB9AS1PR1KMT2A
SCHEMBL16373728 0.77 NPC1 (0.81) MLLT1NPC1RAB9AS1PR1KMT2A
SCHEMBL17933816 0.77 NPC1 (0.95) MLLT1NPC1RAB9AS1PR1KMT2A
SCHEMBL14160551 0.76 TRPV1 (0.70) MLLT1NPC1RAB9AS1PR1KMT2A
SCHEMBL9911612 0.76 MLLT1 (0.67) MLLT1NPC1RAB9AS1PR1KMT2A
SCHEMBL1179640 0.76 ALDH1A1 (0.64) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL19000595 0.76 HDAC3 (0.63) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL18618367 0.76 MLLT1 (0.95) MLLT1NPC1RAB9AS1PR1KMT2A
SCHEMBL13902147 0.76 S1PR1 (1.00) MLLT1NPC1RAB9AS1PR1KMT2A
SCHEMBL509365 0.76 RAB9A (0.90) MLLT1NPC1RAB9AS1PR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109779-A1 USE OF HETEROCYCLIC COMPOUND IN REDUCING ADVERSE REACTIONS CAUSED BY CHEMOTHERAPEUTIC DRUGS 清华大学 2023-06-22 WO disclosed
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 MLLT1 1830/4885NPC1 1941/4885RAB9A 2878/4885
US-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 MLLT1 1830/4885NPC1 1941/4885RAB9A 2878/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 MLLT1 1830/4885NPC1 1941/4885RAB9A 2878/4885

“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.