SCHEMBL3936788

SCHEMBL3936788

NC(N)(O)Cc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
MAPT P10636 5/20 0.58
CYP3A4 P08684 3/20 0.58
AHR P35869 1/20 0.58
GPR84 Q9NQS5 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
HTR6 P50406 3/20 0.56
HTR2A P28223 3/20 0.56
CYP2D6 P10635 3/20 0.56
HTR1D P28221 2/20 0.56
HTR1B P28222 2/20 0.56
HTR2C P28335 2/20 0.56
HTR7 P34969 2/20 0.56
MPO P05164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2A6 P11509 1/20 0.56
NFKB1 P19838 1/20 0.56
CTSK P43235 1/20 0.56
CYP2A13 Q16696 1/20 0.56

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
SCHEMBL10413999 0.82 MAPT (0.59) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL31036376 0.82 MAPT (0.59) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL5071309 0.82 MAPT (0.59) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL27452680 0.82 MEN1 (0.58) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL4100216 0.82 MEN1 (0.58) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL30354035 0.82 MEN1 (0.58) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL22879441 0.82 MEN1 (0.58) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL5386806 0.82 MEN1 (0.58) MEN1KMT2AMAPTCYP3A4AHR
Hydrochloric Acid SCHEMBL27797436 0.81 PMP22 (0.57) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL3944970 0.80 MEN1 (0.51) MEN1KMT2AMAPTCYP3A4AHR

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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 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-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 MEN1 397/4885KMT2A 331/4885MAPT 4680/4885

“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.