SCHEMBL9911622

SCHEMBL9911622

O=C(NCC#Cc1ccncc1)c1cc(-c2cccs2)on1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.61
NPC1 O15118 6/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
LMNA P02545 6/20 0.60
HPGD P15428 2/20 0.60
TP53 P04637 3/20 0.59
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 5/20 0.55
PLEC Q15149 1/20 0.55
ESR1 P03372 1/20 0.55
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTT P42858 1/20 0.53
MAPT P10636 3/20 0.53
THRB P10828 1/20 0.53

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
SCHEMBL4282841 0.81 RAB9A (0.69) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9911605 0.80 RAB9A (0.84) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4282973 0.80 RAB9A (0.74) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1179175 0.78 SMN1; SMN2 (0.69) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4281968 0.77 RAB9A (0.77) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9911645 0.77 RAB9A (0.77) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4278607 0.76 RAB9A (0.70) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4283494 0.76 RAB9A (1.00) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4283077 0.75 RAB9A (0.74) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4284351 0.75 RAB9A (1.00) RAB9ANPC1MEN1KMT2ASMN1; 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 8 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-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-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 2878/4885NPC1 1941/4885MEN1 3223/4885
US-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 RAB9A 2878/4885NPC1 1941/4885MEN1 3223/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 RAB9A 2878/4885NPC1 1941/4885MEN1 3223/4885

“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.