SCHEMBL13394331

SCHEMBL13394331

COc1ccc2c(n1)sc1nc(-c3ccc([N+](=O)[O-])cc3)cn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.55
MBD2 Q9UBB5 1/20 0.46
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
APP P05067 2/20 0.42
ADORA2A P29274 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FLT3 P36888 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL13394346 0.86 F2RL3 (0.40) F2RL3RAB9AMAPTLMNASMN1; SMN2
SCHEMBL15079641 0.84 FLT3 (0.49) F2RL3MBD2RAB9AMAPTSMN1; SMN2
SCHEMBL13394288 0.83 MAPT (0.56) F2RL3RAB9AMAPTLMNASMN1; SMN2
SCHEMBL13394606 0.83 F2RL3 (0.37) F2RL3RAB9AMAPTLMNASMN1; SMN2
SCHEMBL15079505 0.83 F2RL3 (0.46) F2RL3MBD2RAB9AMAPTLMNA
SCHEMBL16219331 0.83 F2RL3 (0.46) F2RL3MBD2RAB9AMAPTLMNA
SCHEMBL13394624 0.82 F2RL3 (0.50) F2RL3RAB9AMAPTLMNASMN1; SMN2
SCHEMBL13394286 0.82 F2RL3 (0.50) F2RL3RAB9AMAPTLMNASMN1; SMN2
SCHEMBL13412873 0.82 RAB9A (0.44) RAB9AMAPTLMNASMN1; SMN2RXFP1
SCHEMBL13827335 0.81 LMNA (0.43) RAB9AMAPTLMNASMN1; SMN2RXFP1

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 5 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-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
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 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-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB F2RL3 3592/4885MBD2 3759/4885RAB9A 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.