SCHEMBL9911667

SCHEMBL9911667

c1cnc(Nc2nc3ccccc3o2)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.72
NPC1 O15118 11/20 0.72
SMN1; SMN2 Q16637 9/20 0.72
PKM P14618 5/20 0.72
TP53 P04637 3/20 0.72
ALOX15 P16050 2/20 0.72
LMNA P02545 1/20 0.72
MAPT P10636 5/20 0.64
ALDH1A1 P00352 4/20 0.64
GAA P10253 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HSP90AA1 P07900 1/20 0.52
HSD17B10 Q99714 2/20 0.52
PDE10A Q9Y233 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 2/20 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
SCHEMBL15022003 0.85 RAB9A (0.78) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL880411 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL15688417 0.83 RAB9A (0.60) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL27886383 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL10639656 0.79 RAB9A (0.65) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL2658434 0.78 NPC1 (1.00) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL29236673 0.75 NPC1 (0.58) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL5391772 0.75 NPC1 (0.73) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL7684606 0.75 NPC1 (0.61) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL7112763 0.73 NPC1 (0.71) RAB9ANPC1SMN1; SMN2PKMTP53

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 9 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-20130143935-A1 STEM CELL DIFFERENTIATING AGENTS AND USES THEREFOR 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-20120029200-A1 Stem Cell Differentiating Agents and Uses Therefor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-02 US disclosed
US-7981935-B2 Stem cell differentiating agents and uses therefor THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-19 US disclosed
US-20090076103-A1 STEM CELL DIFFERENTIATING AGENTS AND USES THEREFOR THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-03-19 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 (6 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-20120029200-A1 Stem Cell Differentiating Agents and Uses Therefor MYADM, MCL1, NOTCH4 RAB9A 2887/4885NPC1 1970/4885SMN1; SMN2 2388/4885
US-20090076103-A1 STEM CELL DIFFERENTIATING AGENTS AND USES THEREFOR MYADM, MCL1, NOTCH4 RAB9A 2887/4885NPC1 1970/4885SMN1; SMN2 2388/4885
US-20140364467-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 RAB9A 2878/4885NPC1 1941/4885SMN1; SMN2 929/4885
US-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 RAB9A 2878/4885NPC1 1941/4885SMN1; SMN2 929/4885
US-20130143935-A1 STEM CELL DIFFERENTIATING AGENTS AND USES THEREFOR MYADM, MCL1, NOTCH4 RAB9A 2887/4885NPC1 1970/4885SMN1; SMN2 2388/4885
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.