SCHEMBL3635656

SCHEMBL3635656

Fc1ccc(C2(Nc3nc(N4CCC(F)(F)CC4)nc4ccccc34)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.52
WHR1 P49842 3/20 0.47
HRH4 Q9H3N8 1/20 0.45
MAOB P27338 1/20 0.44
HTR3A P46098 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
CTNNB1 P35222 2/20 0.41
TCF7L2 Q9NQB0 2/20 0.41

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
SCHEMBL3642953 0.90 HTR2A (0.53) HTR2AHRH4KDM4EGAAMAPT
SCHEMBL3637860 0.82 KDM4E (0.55) HRH4HTR3AKDM4EGAAMAPT
SCHEMBL3644628 0.81 KDM4E (0.56) HRH4HTR3AKDM4EGAAMAPT
SCHEMBL3638792 0.80 CTNNB1 (0.62) HTR2AHRH4MAOBKDM4EGAA
SCHEMBL3776217 0.80 L3MBTL1 (0.55) HTR2AHTR3AKDM4EGAAMAPT
Hydrochloric Acid SCHEMBL3638817 0.79 L3MBTL1 (0.54) HTR2AHTR3AKDM4EGAAMAPT
SCHEMBL3640490 0.79 L3MBTL1 (0.57) HTR2AHTR3AKDM4EGAAMAPT
SCHEMBL3772973 0.79 L3MBTL1 (0.57) HTR2AHTR3AKDM4EGAAMAPT
SCHEMBL3644630 0.78 KDM4E (0.55) HRH4HTR3AKDM4EGAAMAPT
Hydrochloric Acid SCHEMBL3639728 0.78 L3MBTL1 (0.56) HTR2AHTR3AKDM4EGAAMAPT

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 6 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
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 HTR2A 4438/4885WHR1 3571/4885HRH4 360/4885

“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.