SCHEMBL2495555

SCHEMBL2495555

Clc1ccc2nc(N3CCNCC3)c3nnc(Cc4cccs4)n3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HRH1 P35367 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2468101 0.90 HRH4 (0.53) HRH4HRH3HRH1ALDH1A1KMT2A
SCHEMBL2470326 0.83 HRH4 (0.42) HRH4HRH3HTR3EHTR3BHTR1A
SCHEMBL2466814 0.82 GABRP (0.42) HRH4HRH1
SCHEMBL405652 0.76 HRH4 (0.52) HRH4HRH3ALDH1A1KMT2ATP53
SCHEMBL405958 0.72 HRH4 (0.60) HRH4HRH3TP53
SCHEMBL2530931 0.72 HRH4 (0.53) HRH4HRH3HTR3EHTR3BHTR1A
SCHEMBL2464693 0.69 HIF1A (0.45) HRH4HRH1ALDH1A1CYP1A2CYP3A4
SCHEMBL13458002 0.69 SOS1 (0.45) HRH4HRH3ALDH1A1KMT2AHSD17B10
SCHEMBL404516 0.69 HRH4 (0.74) HRH4HRH3ALDH1A1KMT2ATP53
SCHEMBL342711 0.69 CUL4A (0.60) HRH4HRH3ALDH1A1KMT2AMEN1

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-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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885HRH1 4/4885

“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.