SCHEMBL2463455

SCHEMBL2463455

Fc1c(C(F)(F)F)ccc2nc(Cl)n3ncnc3c12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HCAR1 Q9BXC0 1/20 0.31
EGLN2 Q96KS0 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
SCHEMBL12225088 0.81 PDE1B (0.34) KDM4EALDH1A1EGLN2
SCHEMBL2465670 0.78 HRH4 (0.43) KDM4EALDH1A1
SCHEMBL10287060 0.77 PDE10A (0.42) HCAR1
SCHEMBL2465334 0.76 CYP1A2 (0.40) KDM4EALDH1A1
SCHEMBL2464899 0.76 HRH4 (0.46) MBOAT4
SCHEMBL12246136 0.73 KDM4E (0.33) MBOAT4KDM4EALDH1A1HPGD
SCHEMBL2465329 0.73 MTOR (0.34) KDM4E
SCHEMBL12246557 0.71 MBOAT4 (0.40) MBOAT4KDM4EALDH1A1HPGD
SCHEMBL7395649 0.71 ADORA3 (0.39) EGLN2
SCHEMBL2463692 0.69 CHEK1 (0.47) HCAR1

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 3 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
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 MBOAT4 4561/4885KDM4E 1897/4885ALDH1A1 1909/4885

“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.