SCHEMBL21615062

SCHEMBL21615062

c1ccc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c(Nc2ccc3ccccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ GSTP1 P09211 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MAPK9 P45984 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ MAPK1 P28482 2/20 0.33

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
SCHEMBL18201529 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4HSD17B10HPGDEPHX2
SCHEMBL29893694 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10HPGDSLC6A2
SCHEMBL29104474 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD17B10HPGDSLC6A2
SCHEMBL24166422 0.82 ALDH1A1 (0.41) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL21615033 0.82 PDK2 (0.36) JAK2
SCHEMBL23288288 0.81 FABP3 (0.41) MAPTMAPK10MAPK14KDM4E
SCHEMBL31650930 0.81 FABP3 (0.41) MAPTMAPK10MAPK14KDM4E
SCHEMBL17760830 0.81 ALDH1A1 (0.39) ALDH1A1CYP3A4HSD17B10HPGDEPHX2
SCHEMBL21665619 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10HPGDEPHX2
SCHEMBL23697408 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4HSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127251-A1 PROCESS FOR THE PRODUCTION OF ARYLAMINES MERCK PATENT GMBH (DE) 2022-04-28 — — US disclosed
WO-2020007770-A1 PROCESS FOR THE PRODUCTION OF ARYLAMINES MERCK PATENT GMBH (DE) 2020-01-09 — — 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-20220127251-A1 PROCESS FOR THE PRODUCTION OF ARYLAMINES MAOB, TYR, INMT ALDH1A1 777/4885CYP3A4 167/4885HSD17B10 644/4885

“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.

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