SCHEMBL3598467

SCHEMBL3598467

Clc1cc(N2CCOCC2)nc(CBr)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
KMT2A Q03164 4/20 0.56
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
HTT P42858 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.40
PIK3CB P42338 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PRKDC P78527 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL27790168 0.88 MAPT (0.57) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL3599828 0.84 CYP1A2 (0.60) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL13141217 0.84 MAPT (0.60) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL18398994 0.84 CYP1A2 (0.60) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL3601715 0.84 MAPT (0.65) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL3600627 0.82 MAPT (0.61) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL28025178 0.81 CYP1A2 (0.56) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL3600781 0.81 CYP1A2 (0.56) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL3610061 0.81 CYP1A2 (0.56) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL13119748 0.81 CYP1A2 (0.56) MAPTCYP1A2CYP2D6KMT2ARAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 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 (2 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 MAPT 680/4885CYP1A2 1208/4885CYP2D6 575/4885
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 MAPT 2195/4885CYP1A2 1185/4885CYP2D6 1107/4885

“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.