SCHEMBL4174785

SCHEMBL4174785

O=C(NCc1ccccn1)c1cscn1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.58
RAB9A P51151 3/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.56
HPGD P15428 5/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 2/20 0.56
GLS O94925 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.52
MAPK14 Q16539 1/20 0.52

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
SCHEMBL8722201 0.86 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1RAB9AKMT2AMAPK1
SCHEMBL19476144 0.82 MMP13 (0.60) SMN1; SMN2ALDH1A1RAB9AKMT2AMAPK1
SCHEMBL29505784 0.78 SLC40A1 (0.48)
Hydrochloric Acid SCHEMBL29505674 0.77 SLC40A1 (0.49)
SCHEMBL29505822 0.77 SLC40A1 (0.48) SMN1; SMN2KMT2AMAPK1HPGDPOLB
SCHEMBL3800901 0.77 MAPK10 (0.47) ALDH1A1RAB9AMAPK1HPGDPOLB
SCHEMBL166484 0.76 LMNA (0.82) SMN1; SMN2ALDH1A1RAB9AKMT2AHPGD
SCHEMBL29367205 0.76 HTT (0.69) SMN1; SMN2ALDH1A1RAB9AKMT2AMAPK1
SCHEMBL2100277 0.76 NPC1 (0.58) SMN1; SMN2ALDH1A1RAB9AKMT2ANPC1
SCHEMBL18415475 0.76 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1RAB9AKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114668761-A Novel ferroportin inhibitors 威佛(国际)股份公司 2022-06-28 CN disclosed
CN-108290878-B Novel ferroportin inhibitors 威佛(国际)股份公司 2022-04-26 CN disclosed
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 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 (1 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 SMN1; SMN2 1854/4885ALDH1A1 2269/4885RAB9A 739/4885

“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.