SCHEMBL3307664

SCHEMBL3307664

COc1ccc(C=Cn2c(=O)sc3ccncc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
LMNA P02545 2/20 0.40
ALOX5 P09917 3/20 0.39
POLB P06746 2/20 0.39
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPT P10636 4/20 0.38

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
SCHEMBL3307658 1.00 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKDM4ECYP1A2
SCHEMBL3305491 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AKDM4ECYP2D6
SCHEMBL3305497 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AKDM4ECYP2D6
SCHEMBL14864458 0.78 HTR6 (0.50) SMN1; SMN2CYP1A2CYP1A1CYP1B1ALOX5
SCHEMBL13394314 0.73 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AKDM4ECYP1A2
SCHEMBL1850926 0.73 NFE2L2 (0.50) MAPK1NFE2L2MAPTMAOBALDH1A1
SCHEMBL1850928 0.73 NFE2L2 (0.50) MAPK1NFE2L2MAPTMAOBALDH1A1
SCHEMBL3306489 0.72 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP3A4HPGD
SCHEMBL3306493 0.72 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP3A4HPGD
SCHEMBL13394312 0.67 NFE2L2 (0.51) SMN1; SMN2KDM4EALOX5GAANFE2L2

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-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB SMN1; SMN2 69/4885NPC1 719/4885RAB9A 3454/4885

“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.