SCHEMBL406362

SCHEMBL406362

Fc1cc2nc(Cl)c(Cl)nc2cc1Br

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
KDM1A O60341 4/20 0.35
KDM1B Q8NB78 3/20 0.35
PIK3R1 P27986 3/20 0.33
PIK3CA P42336 3/20 0.33
ILK Q13418 1/20 0.32
PKM P14618 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KCNH2 Q12809 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL29558664 0.83 TDP1 (0.46) TDP1PKMKEAP1NFE2L2RAB9A
SCHEMBL121641 0.83 TDP1 (0.46) TDP1PKMKEAP1NFE2L2RAB9A
SCHEMBL11395603 0.83 TDP1 (0.46) TDP1PIK3R1PIK3CAPKM
SCHEMBL463662 0.82 PGK1 (0.36) TDP1KDM1AKDM1BILKPKM
SCHEMBL29911221 0.79 KDM1A (0.39) KDM1AKDM1BPIK3R1PIK3CAKCNH2
SCHEMBL21130168 0.79 KDM1A (0.39) KDM1AKDM1BPIK3R1PIK3CAKCNH2
SCHEMBL28549111 0.78 ALDH1A1 (0.53) KDM1AKDM1BPIK3R1PIK3CAEGLN1
SCHEMBL31071314 0.77 CYP1A2 (0.41) TDP1KDM1AKDM1BILK
SCHEMBL404267 0.76 MAPT (0.45) TDP1KDM1AKDM1BPKMKEAP1
SCHEMBL23521056 0.75 ILK (0.33) KDM1AKDM1BILK

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TDP1 4213/4885KDM1A 1135/4885KDM1B 954/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TDP1 4213/4885KDM1A 1135/4885KDM1B 954/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TDP1 4213/4885KDM1A 1135/4885KDM1B 954/4885

“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.