SCHEMBL5808443

SCHEMBL5808443

CN(Cc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.82
ALDH1A1 P00352 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
CA12 O43570 2/20 0.66
CA9 Q16790 2/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
ABCC1 P33527 1/20 0.65
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
NAMPT P43490 1/20 0.56
NPY5R Q15761 1/20 0.56
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.53

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
SCHEMBL12994640 0.90 MTOR (0.70) MTORALDH1A1NPSR1CA12CA9
SCHEMBL29140936 0.90 MTOR (0.78) MTORALDH1A1NPSR1CA12CA9
SCHEMBL11168593 0.89 MTOR (0.71) MTORALDH1A1NPSR1CA12CA9
SCHEMBL6984082 0.89 MTOR (0.68) MTORALDH1A1NPSR1CA12CA9
SCHEMBL29140953 0.86 MTOR (0.65) MTORALDH1A1ABCC1RAB9ANPY5R
SCHEMBL29140925 0.83 MTOR (0.61) MTORCA12CA9CA1CA2
SCHEMBL29140944 0.83 NPY5R (0.78) MTORALDH1A1NPSR1CA12CA9
SCHEMBL8174295 0.83 ALDH1A1 (0.65) MTORALDH1A1NPSR1CA12CA9
SCHEMBL11419570 0.83 BCHE (0.60) MTORALDH1A1NPSR1CA12CA9
SCHEMBL20379674 0.82 SMN1; SMN2 (0.64) MTORALDH1A1NPC1RAB9ANAMPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117383994-A Preparation method of asymmetric urea compound and asymmetric urea compound 内蒙古工业大学 2024-01-12 CN disclosed
CN-110878070-B Method for preparing asymmetric urea compound 中国科学院化学研究所 2021-08-31 CN disclosed
CN-110878070-A Method for preparing asymmetric urea compound 中国科学院化学研究所 2020-03-13 CN disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
WO-2007122173-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
WO-2006130426-A2 MODULATORS OF CCR-5 ACTIVITY KEMIA, INC. (US) 2006-12-07 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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 MTOR 1627/4885ALDH1A1 710/4885NPSR1 78/4885

“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.