SCHEMBL3977779

SCHEMBL3977779

c1ccc(Oc2ncnc3sccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
RAB9A P51151 3/20 0.72
LMNA P02545 1/20 0.72
SMN1; SMN2 Q16637 3/20 0.70
MRGPRX1 Q96LB2 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C19 P33261 1/20 0.66
NPC1 O15118 1/20 0.63
KMT2A Q03164 1/20 0.59
HTT P42858 2/20 0.52
TSHR P16473 1/20 0.52
NCOA1 Q15788 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
KDR P35968 3/20 0.52
PDGFRB P09619 2/20 0.52
KIT P10721 1/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
TRPA1 O75762 1/20 0.50

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
SCHEMBL26978589 0.84 ALDH1A1 (1.00) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL26980580 0.80 MRGPRX1 (1.00) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL4087930 0.79 RAB9A (0.54) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL29689504 0.78 MRGPRX1 (1.00) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL1891222 0.78 RAB9A (0.64) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL3975728 0.77 RAB9A (0.52) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL23937935 0.75 RAB9A (0.71) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL26978328 0.74 KMT2A (1.00) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL6454860 0.73 KMT2A (0.48) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1
SCHEMBL29481463 0.73 KMT2A (0.48) ALDH1A1RAB9ALMNASMN1; SMN2MRGPRX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO 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-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 ALDH1A1 1591/4885RAB9A 3568/4885LMNA 1994/4885

“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.