SCHEMBL3776217

SCHEMBL3776217

Clc1ccc(C2(Nc3nc(N4CCCC4)nc4ccccc34)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR2A P28223 2/20 0.53
KDM4E B2RXH2 7/20 0.50
HSD17B10 Q99714 5/20 0.50
GAA P10253 5/20 0.50
GLA P06280 4/20 0.50
TSHR P16473 3/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
NPY1R P25929 1/20 0.50
HPGD P15428 5/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49

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
Hydrochloric Acid SCHEMBL3638817 0.99 L3MBTL1 (0.54) L3MBTL1POLBMAPK1ATMTDP1
SCHEMBL3772973 0.99 L3MBTL1 (0.57) L3MBTL1POLBMAPK1ATMTDP1
SCHEMBL3640490 0.99 L3MBTL1 (0.57) L3MBTL1POLBMAPK1ATMTDP1
Hydrochloric Acid SCHEMBL3639728 0.98 L3MBTL1 (0.56) L3MBTL1POLBMAPK1ATMTDP1
SCHEMBL3637860 0.92 KDM4E (0.55) L3MBTL1POLBTDP1KDM4EHSD17B10
SCHEMBL3644628 0.90 KDM4E (0.56) L3MBTL1POLBMAPK1ATMTDP1
SCHEMBL3642953 0.87 HTR2A (0.53) L3MBTL1POLBTDP1HTR2AKDM4E
SCHEMBL3644630 0.87 KDM4E (0.55) L3MBTL1POLBMAPK1ATMTDP1
SCHEMBL3640920 0.81 MAPT (0.50) POLBMAPK1HTR2AKDM4EGAA
SCHEMBL3635656 0.80 HTR2A (0.52) HTR2AKDM4EHSD17B10GAAKMT2A

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 claimed
CN-101784276-A Use of compounds for the preparation of antituberculosis agents SUMMIT CORP PLC 2010-07-21 CN claimed
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

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 L3MBTL1 3143/4885POLB 697/4885MAPK1 2913/4885

“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.