SCHEMBL3623290

SCHEMBL3623290

Clc1ccccc1-c1nnc2cc(I)ccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK13 O15264 2/20 0.45
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTAFR P25105 1/20 0.38
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ABL1 P00519 1/20 0.37
PDGFRA P16234 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK7 P50613 1/20 0.37
BTK Q06187 1/20 0.37
MAP4K2 Q12851 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
SCHEMBL379822 0.84 HSD11B1 (0.50) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL13385743 0.83 HSD11B1 (0.53) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL3620581 0.83 LMNA (0.47) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL10288932 0.82 HSD11B1 (0.47) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL379749 0.82 HSD11B1 (0.48) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL3621998 0.82 HSD11B1 (0.40) HSD11B1MAPK13KDM4EPTAFRPDE2A
SCHEMBL3620228 0.78 ABL1 (0.51) HSD11B1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL3622123 0.71 MAPK14 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL10288933 0.71 KDM4E (0.46) HSD11B1ALDH1A1NPC1LMNARAB9A
SCHEMBL3622223 0.70 DNMT1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258122-B2 3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide derivatives ALMIRALL, S.A. (ES) 2012-09-04 US disclosed
US-8258122-B2 3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide derivatives ALMIRALL, S.A. (ES) 2012-09-04 US disclosed
US-8258122-B2 3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide derivatives ALMIRALL, S.A. (ES) 2012-09-04 US disclosed
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-13 US disclosed
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-13 US disclosed
US-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-13 US disclosed
EP-2118100-A1 NEW 3- ([1,2,4] TRIAZOLO [4,3-A] PYRIDIN-7-YL)BENZAMIDE DERIVATIVES Almirall, S.A. (ES) 2009-11-18 EP disclosed
WO-2008107125-A1 NEW 3-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2008-09-12 WO disclosed
WO-2008107125-A1 NEW 3-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES ALMIRALL, S.A. (ES) 2008-09-12 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-20100120731-A1 3-([1,2,4]TRIAZOLO [4,3-A]PYRIDIN-7-YL)BENZAMIDE DERIVATIVES MAP4K2, MAP3K7, MAPK7 HSD11B1 4180/4885ALDH1A1 1882/4885NPC1 2529/4885

“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.