SCHEMBL830704

SCHEMBL830704

Clc1cc(Sc2ccc(Br)cc2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
RHEB Q15382 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DHFR P00374 1/20 0.43
KDM1A O60341 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
USP2 O75604 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL830251 0.87 TP53 (0.59) HTTMEN1KMT2ATP53MAPT
SCHEMBL829690 0.84 KDM1A (0.59) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL829774 0.84 MEN1 (0.49) MEN1KMT2ATP53MAPTRHEB
SCHEMBL830551 0.84 MAPT (0.52) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL829447 0.81 DHFR (0.47) TP53MAPTDHFRKDM1AKDM4E
SCHEMBL828917 0.81 TP53 (0.49) HTTMEN1KMT2ATP53MAPT
SCHEMBL829981 0.81 AURKA (0.48) HTTMEN1KMT2ATP53MAPT
SCHEMBL4371190 0.74 MEN1 (0.43) HTTMEN1KMT2ALMNADHFR
SCHEMBL28494434 0.72 MAOA (0.50) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL830502 0.70 MAOB (0.47) HTTMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 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-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds GTF3C4, HNF4A, TENT4A HTT 836/4885MEN1 3979/4885KMT2A 1907/4885

“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.