SCHEMBL9911599

SCHEMBL9911599

O=C(NC1CCC1)c1cc(-c2cccs2)on1

nearest known ligand 0.95

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.95
NPC1 O15118 12/20 0.95
KMT2A Q03164 7/20 0.95
MEN1 O00255 6/20 0.95
SMN1; SMN2 Q16637 4/20 0.95
HPGD P15428 3/20 0.95
LMNA P02545 2/20 0.95
ALDH1A1 P00352 1/20 0.95
TP53 P04637 1/20 0.95
S1PR1 P21453 1/20 0.62
MLLT1 Q03111 3/20 0.61
TSHR P16473 1/20 0.60
MLLT3 P42568 1/20 0.58
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL4284108 0.97 NPC1 (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4291514 0.96 NPC1 (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4280117 0.96 NPC1 (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL509365 0.95 RAB9A (0.90) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4280110 0.89 RAB9A (0.80) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4287780 0.87 RAB9A (0.77) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4285669 0.82 RAB9A (0.69) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL15099496 0.82 KMT2A (0.70) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL17933816 0.80 NPC1 (0.95) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL9911643 0.79 RAB9A (0.70) RAB9ANPC1KMT2AMEN1SMN1; 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 14 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-20170172987-A1 ISOXAZOLE TREATMENTS FOR FRONTOTEMPORAL DEMENTIA THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-22 US disclosed
US-20170172987-A1 ISOXAZOLE TREATMENTS FOR FRONTOTEMPORAL DEMENTIA THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-22 US disclosed
WO-2015143300-A1 ISOXAZOLE TREATMENTS FOR FRONTOTEMPORAL DEMENTIA THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-09-24 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-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-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-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 (4 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-20170172987-A1 ISOXAZOLE TREATMENTS FOR FRONTOTEMPORAL DEMENTIA GRN, PSEN1, PSEN2 RAB9A 4377/4885NPC1 1125/4885KMT2A 4640/4885
US-20140364467-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 RAB9A 2878/4885NPC1 1941/4885KMT2A 1862/4885
US-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 RAB9A 2878/4885NPC1 1941/4885KMT2A 1862/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 RAB9A 2878/4885NPC1 1941/4885KMT2A 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.