SCHEMBL9911646

SCHEMBL9911646

O=C(NC1CC1)c1cc(-c2cccs2)[nH]n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.63
MEN1 O00255 8/20 0.63
L3MBTL1 Q9Y468 1/20 0.61
KDM5B Q9UGL1 1/20 0.58
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
HPGD P15428 4/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 4/20 0.52
USP2 O75604 1/20 0.52
KDM4E B2RXH2 3/20 0.48
POLB P06746 3/20 0.48
THRB P10828 1/20 0.48
HCRTR1 O43613 1/20 0.46
HTT P42858 1/20 0.45
PBK Q96KB5 3/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL27420066 0.81 KMT2A (0.71) KMT2AMEN1L3MBTL1KDM5BRAB9A
SCHEMBL26450013 0.78 KMT2A (0.66) KMT2AMEN1L3MBTL1KDM5BRAB9A
SCHEMBL1761630 0.78 KMT2A (0.51) KMT2AMEN1L3MBTL1KDM5BRAB9A
SCHEMBL3520906 0.78 KMT2A (1.00) KMT2AMEN1L3MBTL1KDM5BRAB9A
Hydrochloric Acid SCHEMBL1761442 0.77 KMT2A (0.50) KMT2AMEN1L3MBTL1KDM5BRAB9A
SCHEMBL9911651 0.77 HPGD (0.43) KMT2AMEN1L3MBTL1KDM5BRAB9A
SCHEMBL21790277 0.76 KMT2A (0.75) KMT2AMEN1L3MBTL1KDM5BRAB9A
SCHEMBL13692368 0.76 KMT2A (0.75) KMT2AMEN1L3MBTL1KDM5BRAB9A
SCHEMBL9911648 0.76 HPGD (0.45) L3MBTL1RAB9ANPC1HPGDALDH1A1
SCHEMBL9911602 0.76 MAPK8 (0.58) KMT2AMEN1RAB9ANPC1HPGD

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 11 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-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 KMT2A 1862/4885MEN1 3223/4885L3MBTL1 2418/4885
US-20090036451-A1 Chemical inducers of neurogenesis DCX, NES, GAP43 KMT2A 1862/4885MEN1 3223/4885L3MBTL1 2418/4885
US-20130143885-A1 CHEMICAL INDUCERS OF NEUROGENESIS DCX, NES, GAP43 KMT2A 1862/4885MEN1 3223/4885L3MBTL1 2418/4885

“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.