SCHEMBL9911640

SCHEMBL9911640

O=C(NC[C@@H]1CCCC[C@H]1O)c1cc(-c2cccs2)on1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.64
MEN1 O00255 8/20 0.64
KMT2A Q03164 8/20 0.64
NPC1 O15118 7/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
LMNA P02545 5/20 0.64
HPGD P15428 4/20 0.64
ALDH1A1 P00352 4/20 0.64
TP53 P04637 4/20 0.64
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 3/20 0.54
PLEC Q15149 1/20 0.54
TSHR P16473 2/20 0.53
ESR1 P03372 1/20 0.52
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL4279011 0.84 RAB9A (0.67) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4286612 0.81 RAB9A (0.71) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL17788440 0.78 RAB9A (0.60) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4284108 0.78 NPC1 (1.00) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4291514 0.77 NPC1 (1.00) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4280117 0.77 NPC1 (1.00) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9911645 0.76 RAB9A (0.77) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4282973 0.76 RAB9A (0.74) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4285669 0.76 RAB9A (0.69) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9911599 0.76 RAB9A (0.95) RAB9AMEN1KMT2ANPC1SMN1; SMN2

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