SCHEMBL440822

SCHEMBL440822

NCC(N)c1nc2ccc(Cl)cc2n2cnnc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.52
HRH4 Q9H3N8 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL439933 0.83 MAPT (0.51) RXFP1HRH4HRH3MAPTSMN1; SMN2
SCHEMBL405269 0.77 HRH4 (0.60) RXFP1HRH4HRH3MAPTSMN1; SMN2
SCHEMBL404420 0.74 MAPT (0.65) RXFP1HRH4HRH3MAPTSMN1; SMN2
SCHEMBL404421 0.73 HRH4 (0.51) RXFP1HRH4HRH3MAPTSMN1; SMN2
SCHEMBL2536841 0.73 MAPT (0.53) RXFP1HRH4HRH3MAPTSMN1; SMN2
SCHEMBL10847842 0.72 RXFP1 (0.65) RXFP1MAPTSMN1; SMN2KMT2AMEN1
Ammonia Solution, Strong SCHEMBL439934 0.71 HRH4 (0.54) RXFP1HRH4HRH3MAPTSMN1; SMN2
SCHEMBL405648 0.70 HRH4 (0.53) RXFP1HRH4HRH3MAPTSMN1; SMN2
SCHEMBL405927 0.69 HRH4 (0.67) HRH4HRH3MAPTSMN1; SMN2KMT2A
SCHEMBL10013927 0.68 HRH4 (0.78) HRH4HRH3MAPTSMN1; SMN2KMT2A

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-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
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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 (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 RXFP1 471/4885HRH4 1/4885HRH3 2/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 RXFP1 471/4885HRH4 1/4885HRH3 2/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 RXFP1 471/4885HRH4 1/4885HRH3 2/4885

“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.