SCHEMBL4240617

SCHEMBL4240617

O=C(O)NCc1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
CACNA1G O43497 1/20 0.45
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.42
MAPK10 P53779 2/20 0.42
CACNA1H O95180 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 3/20 0.41
PTGS2 P35354 1/20 0.41
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NHERF1 O14745 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL11296982 0.84 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2CACNA1GPOLBRAB9A
SCHEMBL23497870 0.83 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2CACNA1GPOLBRAB9A
SCHEMBL16176685 0.80 CACNA1H (0.51) KMT2ASMN1; SMN2CACNA1GPOLBRAB9A
SCHEMBL23459074 0.80 PIN1 (0.46) KMT2ASMN1; SMN2CACNA1GPOLBRAB9A
SCHEMBL13991771 0.79 GAA (0.64) KMT2ASMN1; SMN2POLBRAB9ATSHR
SCHEMBL305355 0.79 POLB (0.64) KMT2ASMN1; SMN2POLBRAB9ATSHR
SCHEMBL22775612 0.79 MAPT (0.59) KMT2ASMN1; SMN2POLBRAB9AMAPT
SCHEMBL5897142 0.78 KMT2A (0.57) KMT2ASMN1; SMN2CACNA1GTSHRCACNA1H
Hydrochloric Acid SCHEMBL27826900 0.78 POLB (0.63) KMT2ASMN1; SMN2POLBRAB9ATSHR
SCHEMBL10447405 0.78 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2CACNA1GPOLBRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 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 (2 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 KMT2A 2981/4885SMN1; SMN2 2249/4885CACNA1G 4799/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA KMT2A 3096/4885SMN1; SMN2 2523/4885CACNA1G 2608/4885

“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.