SCHEMBL9911665

SCHEMBL9911665

O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.77
MAPT P10636 10/20 0.77
SMN1; SMN2 Q16637 10/20 0.74
ALDH1A1 P00352 9/20 0.74
RAB9A P51151 8/20 0.74
NPC1 O15118 7/20 0.74
PKM P14618 1/20 0.74
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
LMNA P02545 4/20 0.69
MAPK1 P28482 2/20 0.69
HPGD P15428 5/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
TRPV1 Q8NER1 2/20 0.65
POLB P06746 2/20 0.64
HCAR2 Q8TDS4 1/20 0.63
HTT P42858 1/20 0.62

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
SCHEMBL21998487 0.94 MAPT (0.76) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL109258 0.89 MAPT (0.81) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1231458 0.89 KDM4E (0.69) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1231459 0.89 KDM4E (0.69) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL22510789 0.88 KDM4E (0.79) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL18993423 0.88 KDM4E (0.79) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL95348 0.87 KDM4E (0.77) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL18027733 0.87 KDM4E (0.81) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL95349 0.87 KDM4E (0.77) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1231441 0.86 KDM4E (0.69) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A

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 KDM4E 2091/4885MAPT 4235/4885SMN1; SMN2 2388/4885
US-20090076103-A1 STEM CELL DIFFERENTIATING AGENTS AND USES THEREFOR MYADM, MCL1, NOTCH4 KDM4E 2091/4885MAPT 4235/4885SMN1; SMN2 2388/4885
US-20140364467-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 KDM4E 2440/4885MAPT 364/4885SMN1; SMN2 929/4885
US-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 KDM4E 2440/4885MAPT 364/4885SMN1; SMN2 929/4885
US-20130143935-A1 STEM CELL DIFFERENTIATING AGENTS AND USES THEREFOR MYADM, MCL1, NOTCH4 KDM4E 2091/4885MAPT 4235/4885SMN1; SMN2 2388/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 KDM4E 2440/4885MAPT 364/4885SMN1; 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.