SCHEMBL9911629

SCHEMBL9911629

O=C(NC1C[C@@H]1c1ccccc1)c1cc(-c2cccs2)on1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.63
MEN1 O00255 10/20 0.63
RAB9A P51151 9/20 0.63
NPC1 O15118 6/20 0.63
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
HPGD P15428 3/20 0.63
LMNA P02545 3/20 0.63
TP53 P04637 1/20 0.63
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 3/20 0.52
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 2/20 0.51
EPHX2 P34913 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
PLEC Q15149 1/20 0.48

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
SCHEMBL15001055 1.00 KMT2A (0.63) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL16284666 1.00 KMT2A (0.63) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL509365 0.79 RAB9A (0.90) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL9911599 0.77 RAB9A (0.95) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4284108 0.77 NPC1 (1.00) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4291514 0.76 NPC1 (1.00) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4280117 0.76 NPC1 (1.00) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL5118058 0.76 EPHX2 (0.47) RAB9ANPC1SMN1; SMN2LMNANPSR1
SCHEMBL4282643 0.75 POLB (0.81) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL15099496 0.75 KMT2A (0.70) KMT2AMEN1RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 KMT2A 1862/4885MEN1 3223/4885RAB9A 2878/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 KMT2A 1862/4885MEN1 3223/4885RAB9A 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.