SCHEMBL13822673

SCHEMBL13822673

CCCCC(CC)CNC(=O)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
TSHR P16473 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GLA P06280 1/20 0.55
HTT P42858 1/20 0.55
THRB P10828 1/20 0.54
EPHX2 P34913 3/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL3854614 0.85 KMT2A (0.63) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL10898099 0.84 KMT2A (0.61) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL29038563 0.84 TSHR (0.60) HDAC3HDAC1HDAC2TSHRL3MBTL1
SCHEMBL22373757 0.84 TSHR (0.63) KMT2AMEN1TSHRL3MBTL1GLA
SCHEMBL5553293 0.80 KMT2A (0.66) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL29708225 0.79 HDAC3 (0.74) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL3241002 0.79 HDAC3 (0.74) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL11300484 0.79 TSHR (0.64) KMT2AMEN1TSHRL3MBTL1GLA
SCHEMBL10596421 0.79 TSHR (0.52) KMT2AMEN1TSHRL3MBTL1GLA
SCHEMBL2128698 0.78 HDAC3 (0.68) KMT2AMEN1HDAC3HDAC1HDAC2

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
EP-2524958-B1 LUBRICANT COMPOSITIONS CONTAINING A HETEROAROMATIC COMPOUND AFTON CHEMICAL CORP (US) 2021-07-07 EP disclosed
US-9090847-B2 Lubricant compositions containing a heteroaromatic compound AFTON CHEMICAL CORPORATION (US) 2015-07-28 US disclosed
US-20120291737-A1 LUBRICANT COMPOSITIONS CONTAINING A HETEROAROMATIC COMPOUND AFTON CHEMICAL CORPORATION (US) 2012-11-22 US disclosed
EP-2524958-A1 Lubricant compositions containing a heteroaromatic compound Afton Chemical Corporation (US) 2012-11-21 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-20120291737-A1 LUBRICANT COMPOSITIONS CONTAINING A HETEROAROMATIC COMPOUND HRH3, TRIB1, HRH4 KMT2A 1456/4885MEN1 1721/4885HDAC3 2964/4885

“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.