SCHEMBL16129641

SCHEMBL16129641

COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ABCC1 P33527 1/20 0.63
HDAC1 Q13547 3/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
PTPN1 P18031 1/20 0.57
PLAU P00749 4/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
MCHR1 Q99705 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
HDAC2 Q92769 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ABCB1 P08183 1/20 0.55
NPC1 O15118 1/20 0.54
NQO2 P16083 1/20 0.54

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
SCHEMBL16098149 0.92 TRPV1 (0.62) MEN1KMT2AABCC1HDAC1HDAC8
SCHEMBL11592458 0.92 KMT2A (0.69) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL610530 0.92 MEN1 (0.72) MEN1KMT2ACYP3A4POLBALDH1A1
SCHEMBL29440797 0.92 MEN1 (0.72) MEN1KMT2ACYP3A4POLBALDH1A1
Nitrogen SCHEMBL28359211 0.89 MEN1 (0.69) MEN1KMT2ACYP3A4POLBALDH1A1
SCHEMBL6926258 0.85 ABCC1 (0.76) MEN1KMT2AABCC1HDAC1HDAC8
SCHEMBL17539221 0.85 KMT2A (0.53) MEN1KMT2AABCC1HDAC1PTPN1
SCHEMBL11147327 0.85 POLB (0.63) MEN1KMT2AHDAC1POLBALDH1A1
SCHEMBL17507452 0.85 KMT2A (0.59) MEN1KMT2APOLBALDH1A1NPC1
SCHEMBL6809736 0.85 NPC1 (0.60) MEN1KMT2AHDAC8CYP3A4POLB

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-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 MEN1 901/4885KMT2A 336/4885ABCC1 1888/4885

“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.