SCHEMBL406327

SCHEMBL406327

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
ALDH1A1 P00352 7/20 0.44
GAA P10253 4/20 0.44
KDM4E B2RXH2 1/20 0.44
AAK1 Q2M2I8 2/20 0.43
RAB9A P51151 3/20 0.43
PTGFR P43088 1/20 0.41
NLRP3 Q96P20 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 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
SCHEMBL31167553 0.88 HPGD (0.44) HPGDALDH1A1GAAKDM4EAAK1
SCHEMBL31167557 0.88 HPGD (0.44) HPGDALDH1A1GAAKDM4EAAK1
SCHEMBL2830215 0.85 NLRP3 (0.55) HPGDALDH1A1GAAKDM4EAAK1
SCHEMBL29649034 0.85 NLRP3 (0.55) HPGDALDH1A1GAAKDM4EAAK1
SCHEMBL404693 0.84 HPGD (0.64) HPGDALDH1A1GAAKDM4ERAB9A
SCHEMBL404664 0.81 HPGD (0.47) HPGDALDH1A1GAAKDM4ERAB9A
SCHEMBL404789 0.81 HPGD (0.47) HPGDALDH1A1GAAKDM4ENLRP3
SCHEMBL22987765 0.81 HPGD (0.47) HPGDALDH1A1GAAKDM4ERAB9A
SCHEMBL11791627 0.79 GPR35 (0.47) HPGDALDH1A1GAAKDM4EPTGFR
SCHEMBL6079715 0.78 ALDH1A1 (0.39) HPGDALDH1A1GAAKDM4EAAK1

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HPGD 252/4885ALDH1A1 1909/4885GAA 3072/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HPGD 252/4885ALDH1A1 1909/4885GAA 3072/4885

“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.