SCHEMBL404664

SCHEMBL404664

COC(=O)Nc1ccc(OC)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
ALDH1A1 P00352 4/20 0.45
F10 P00742 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
CLK1 P49759 1/20 0.41
NFKB2 Q00653 1/20 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
SCHEMBL22979971 0.88 RAB9A (0.47) NPC1RAB9ATP53HSD17B10CYP1A1
SCHEMBL10715095 0.87 NLRP3 (0.54) HPGDNPC1RAB9ATP53HSD17B10
SCHEMBL29648996 0.87 NLRP3 (0.54) HPGDNPC1RAB9ATP53HSD17B10
SCHEMBL11791935 0.85 GPR35 (0.55) NPC1RAB9ATP53HSD17B10CYP1A1
SCHEMBL404693 0.84 HPGD (0.64) HPGDNPC1RAB9AHSD17B10CYP1A2
SCHEMBL406327 0.81 HPGD (0.47) HPGDNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL22987765 0.81 HPGD (0.47) HPGDNPC1RAB9ACYP1A2ALDH1A1
SCHEMBL404789 0.81 HPGD (0.47) HPGDHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11657207 0.80 HPGD (0.67) HPGDTP53CYP1A1CYP1A2CYP1B1
SCHEMBL17258667 0.78 LRRK2 (0.44) HPGDNPC1RAB9ATP53HSD17B10

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 HPGD 252/4885NPC1 2861/4885RAB9A 1530/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HPGD 252/4885NPC1 2861/4885RAB9A 1530/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HPGD 252/4885NPC1 2861/4885RAB9A 1530/4885

“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.