SCHEMBL9912684

SCHEMBL9912684

CCCCC(C)NC(=O)c1cc(-c2cccs2)on1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
MEN1 O00255 10/20 0.64
KMT2A Q03164 10/20 0.64
LMNA P02545 4/20 0.58
HPGD P15428 4/20 0.58
KDM4E B2RXH2 5/20 0.56
MAPT P10636 4/20 0.56
TP53 P04637 4/20 0.56
THRB P10828 1/20 0.56
ALDH1A1 P00352 6/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 1/20 0.54
POLB P06746 3/20 0.52
PLEC Q15149 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ESR1 P03372 1/20 0.51

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
SCHEMBL9911630 1.00 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4283404 0.88 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4289004 0.83 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4280256 0.83 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9911621 0.82 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9911624 0.82 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9912676 0.82 RAB9A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4283431 0.81 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL20510886 0.81 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19000596 0.79 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 5 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-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 RAB9A 2878/4885NPC1 1941/4885SMN1; SMN2 929/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 RAB9A 2878/4885NPC1 1941/4885SMN1; SMN2 929/4885

“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.