SCHEMBL7239641

SCHEMBL7239641

O=C(NC(c1ccccc1)c1ccccc1)n1ccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
MGLL Q99685 1/20 0.50
CACNA2D1 P54289 2/20 0.46
CACNA1B Q00975 2/20 0.46
CACNB1 Q02641 2/20 0.46
CACNA1C Q13936 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HMOX2 P30519 1/20 0.44
CYP19A1 P11511 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
HPGDS O60760 1/20 0.41
CYP26A1 O43174 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
SCHEMBL24055475 0.78 FAAH (0.43) FAAHMGLLHMOX2CYP19A1POLB
SCHEMBL13086637 0.76 FAAH (0.48) FAAHMGLLALDH1A1HMOX2CYP19A1
SCHEMBL15099355 0.76 FAAH (0.54) FAAHMGLLALDH1A1MEN1KMT2A
Imidazole-1-Carboxylic Acid Phenylamide SCHEMBL10668282 0.76 RAB9A (0.50) FAAHMGLLALDH1A1HTTCYP3A4
SCHEMBL1260765 0.74 FAAH (0.52) FAAHMGLLALDH1A1HMOX2CYP19A1
SCHEMBL17512450 0.73 CYP3A4 (0.40) FAAHMGLLHTTCYP3A4TBXAS1
SCHEMBL1424751 0.73 CYP19A1 (0.47) FAAHMGLLMEN1KMT2AHMOX2
SCHEMBL13519476 0.73 FAAH (0.38) FAAHMGLLCYP3A4CYP2C9POLB
SCHEMBL23455649 0.72 SMN1; SMN2 (0.54) ALDH1A1CYP19A1
SCHEMBL10405206 0.72 CYP2C9 (0.55) ALDH1A1LMNACYP3A4CYP2D6CYP2C9

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-6583144-B2 Piperazine substituted isoquinoline, 1,3-benzoxazine, or 1,3-benzothiazine derivatives; inhibitors against the biosynthesis of triglycerides and secretion of apolipoprotein b and treatment of hyperlipidemia MEIJI SEIKA KAISHA, LTD. (JP) 2003-06-24 US disclosed
US-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same OHKURA NAOTO (JP) 2002-10-24 US disclosed
US-6417362-B1 PIPERAZINE DERIVATIVES; ARTERIOSCLEROSIS, PANCREATITIS, AND CARDIOVASCULAR DISORDER TREATMENT; SIDE EFFECT REDUCTION MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-09 US disclosed
EP-0999208-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS AND HYPERLIPEMIA REMEDY CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2000-05-10 EP 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-20020156276-A1 Nitrogen-containing heterocyclic compounds and therapeutic agents for hyperlipidemia comprising the same APOB, PNLIP, NR1H2 FAAH 779/4885MGLL 142/4885CACNA2D1 3459/4885

“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.