SCHEMBL9911612

SCHEMBL9911612

O=C(NC1CC1)c1cc(-c2cccnc2)on1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 5/20 0.67
RAB9A P51151 13/20 0.67
NPC1 O15118 12/20 0.67
S1PR1 P21453 2/20 0.65
MLLT3 P42568 2/20 0.61
KMT2A Q03164 6/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
MEN1 O00255 3/20 0.56
SCD O00767 1/20 0.55
SCD5 Q86SK9 1/20 0.55

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
SCHEMBL3413851 0.81 RAB9A (0.62) RAB9ANPC1KMT2ATDP1SMN1; SMN2
SCHEMBL16373728 0.81 NPC1 (0.81) MLLT1RAB9ANPC1S1PR1MLLT3
SCHEMBL17933816 0.80 NPC1 (0.95) MLLT1RAB9ANPC1S1PR1MLLT3
SCHEMBL945836 0.79 DYRK1A (0.58) ALDH1A1
SCHEMBL13902147 0.79 S1PR1 (1.00) MLLT1RAB9ANPC1S1PR1MLLT3
SCHEMBL26256409 0.78 RAB9A (0.65) RAB9ANPC1KMT2ATDP1SMN1; SMN2
SCHEMBL31039788 0.78 ALDH1A1 (0.70) RAB9ANPC1KMT2ATDP1SMN1; SMN2
SCHEMBL369290 0.78 ALDH1A1 (0.70) RAB9ANPC1KMT2ATDP1SMN1; SMN2
SCHEMBL15099490 0.77 NPC1 (0.90) MLLT1RAB9ANPC1S1PR1MLLT3
SCHEMBL368236 0.76 SCD (0.55) RAB9ANPC1KMT2ATDP1SMN1; 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 10 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-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 MLLT1 1830/4885RAB9A 2878/4885NPC1 1941/4885
US-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 MLLT1 1830/4885RAB9A 2878/4885NPC1 1941/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 MLLT1 1830/4885RAB9A 2878/4885NPC1 1941/4885

“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.