SCHEMBL630467

SCHEMBL630467

Clc1ccc(-n2nc(-c3ccccn3)cc2Br)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.46
GRM5 P41594 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
ABL1 P00519 1/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
GAA P10253 3/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPY5R Q15761 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL2577064 0.81 TSHR (0.51) GRM5SMN1; SMN2L3MBTL1NPC1MAPT
SCHEMBL5215858 0.77 GRM5 (0.58) METAP1GRM5SMN1; SMN2L3MBTL1NPC1
SCHEMBL630468 0.76 MAPT (0.53) L3MBTL1NPC1MAPTMAPK1RAB9A
SCHEMBL6014884 0.74 CYP2A6 (0.47) METAP1GRM5SMN1; SMN2L3MBTL1NPC1
SCHEMBL5215879 0.71 GRM5 (0.54) METAP1GRM5SMN1; SMN2L3MBTL1NPC1
SCHEMBL4701486 0.69 NPC1 (0.67) GRM5NPC1MAPTMAPK1RAB9A
SCHEMBL1459767 0.69 KDM4E (0.50) METAP1SMN1; SMN2L3MBTL1NPC1MAPT
SCHEMBL15075728 0.67 NPC1 (0.62) METAP1GRM5SMN1; SMN2L3MBTL1NPC1
SCHEMBL13860632 0.64 RAB9A (0.59) METAP1GRM5SMN1; SMN2L3MBTL1NPC1
SCHEMBL31175944 0.63 CCR1 (0.55) METAP1GRM5SMN1; SMN2L3MBTL1NPC1

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
EP-1534680-B1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACO INVESTMENTS INC (US) 2012-02-22 EP disclosed
US-7501446-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2007-06-28 US disclosed
US-7166619-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY , INC. (US) 2007-01-23 US disclosed
US-20040116425-A1 Prenylation inhibitors and methods of their synthesis and use X-CHEM, INC. 2004-06-17 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-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors FNTA, PTAR1, ZMPSTE24 METAP1 1029/4885GRM5 4327/4885SMN1; SMN2 4110/4885

“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.