SCHEMBL4702287

SCHEMBL4702287

NC[C@@H](N)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
TDO2 P48775 1/20 0.46
GBA1 P04062 1/20 0.44
HTR2A P28223 3/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAOA P21397 1/20 0.41
AGXT P21549 2/20 0.38
BCDIN3D Q7Z5W3 2/20 0.37
ANPEP P15144 1/20 0.37
ENPEP Q07075 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL1470710 1.00 IDO1 (0.46) IDO1TDO2GBA1HTR2ATAAR1
Hydrochloric Acid SCHEMBL28716274 0.98 IDO1 (0.49) IDO1TDO2GBA1HTR2ATAAR1
Hydrochloric Acid SCHEMBL29487201 0.98 IDO1 (0.49) IDO1TDO2GBA1HTR2ATAAR1
SCHEMBL30689582 0.86 TAAR1 (0.47) IDO1TDO2GBA1HTR2ATAAR1
SCHEMBL3542231 0.84 TAAR1 (0.46) HTR2ATAAR1ANPEPENPEP
SCHEMBL25370972 0.82 GBA1 (0.47) IDO1TDO2GBA1TAAR1MAOA
SCHEMBL8515046 0.82 GBA1 (0.47) IDO1TDO2GBA1TAAR1MAOA
SCHEMBL1459476 0.82 GBA1 (0.47) IDO1TDO2GBA1TAAR1MAOA
SCHEMBL12479861 0.82 GBA1 (0.47) IDO1TDO2GBA1TAAR1MAOA
SCHEMBL16396890 0.82 GBA1 (0.47) IDO1TDO2GBA1TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C IDO1 4504/4885TDO2 4651/4885GBA1 1847/4885

“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.