SCHEMBL3640920

SCHEMBL3640920

Clc1ccc(C2(Nc3nc(Cl)nc4ccccc34)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
HTT P42858 1/20 0.50
GRK6 P43250 1/20 0.50
APP P05067 3/20 0.47
PDE5A O76074 3/20 0.47
PDE2A O00408 2/20 0.46
NPY5R Q15761 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
MCL1 Q07820 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MAPK1 P28482 1/20 0.41
ALK Q9UM73 1/20 0.40

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
SCHEMBL3638912 0.93 APP (0.50) MAPTHTTGRK6APPPDE5A
SCHEMBL3776639 0.89 PDE2A (0.47) MAPTHTTGRK6APPPDE5A
SCHEMBL3641018 0.86 APP (0.47) MAPTHTTGRK6APPPDE5A
SCHEMBL3776217 0.81 L3MBTL1 (0.55) MAPTHTTGRK6KDM4EMEN1
SCHEMBL3640490 0.80 L3MBTL1 (0.57) MAPTHTTGRK6KDM4EMEN1
Hydrochloric Acid SCHEMBL3638817 0.80 L3MBTL1 (0.54) MAPTHTTGRK6KDM4EMEN1
SCHEMBL3772973 0.80 L3MBTL1 (0.57) MAPTHTTGRK6KDM4EMEN1
Hydrochloric Acid SCHEMBL3639728 0.80 L3MBTL1 (0.56) MAPTHTTGRK6KDM4EMEN1
SCHEMBL8901627 0.73 NPY5R (0.72) MAPTHTTAPPPDE5ANPY5R
Hydrochloric Acid SCHEMBL8891614 0.72 NPY5R (0.70) MAPTHTTAPPPDE5ANPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN disclosed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 MAPT 4284/4885HTT 4858/4885GRK6 1189/4885

“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.