SCHEMBL3975728

SCHEMBL3975728

O=[N+]([O-])c1cccc(Oc2ncnc3sccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
MRGPRX1 Q96LB2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDR P35968 5/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
NCOA1 Q15788 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43

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
SCHEMBL1891222 0.85 RAB9A (0.64) RAB9AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3980013 0.79 ABCG2 (0.65) RAB9AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3977779 0.77 ALDH1A1 (0.72) RAB9AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL4087930 0.75 RAB9A (0.54) RAB9AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL4203388 0.72 TSHR (0.67) ALDH1A1LMNACYP2C19ABCG2MAPT
SCHEMBL30043252 0.70 TSHR (0.64) ALDH1A1LMNACYP2C19ABCG2MAPT
SCHEMBL6273333 0.70 TSHR (0.64) ALDH1A1LMNACYP2C19ABCG2MAPT
SCHEMBL10352832 0.70 ABCG2 (0.56) ALDH1A1LMNAABCG2HTTTSHR
SCHEMBL12073508 0.69 ABCG2 (0.47) ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL26978589 0.69 ALDH1A1 (1.00) RAB9AALDH1A1LMNASMN1; SMN2NPC1

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 RAB9A 3568/4885ALDH1A1 1591/4885LMNA 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.