SCHEMBL2218409

SCHEMBL2218409

CCC(=O)Nc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.72
MEN1 O00255 7/20 0.72
MAPT P10636 8/20 0.62
ALDH1A1 P00352 5/20 0.59
HTT P42858 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALOX5 P09917 1/20 0.55
SETD7 Q8WTS6 1/20 0.55
PKM P14618 1/20 0.54
CYP3A4 P08684 2/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 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
SCHEMBL2215952 0.85 HDAC8 (0.63) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL1148475 0.84 MEN1 (0.78) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2217357 0.84 HDAC8 (0.64) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL12436028 0.83 MAPT (0.58) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL6813580 0.82 MEN1 (0.82) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2217242 0.80 MAPT (0.56) KMT2AMEN1MAPTHTTLMNA
SCHEMBL17507527 0.80 MAPT (0.56) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2217659 0.79 MAPT (0.50) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL2033537 0.79 MEN1 (0.74) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL17507526 0.77 KMT2A (0.63) KMT2AMEN1MAPTALDH1A1HTT

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-2351731-B1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE INST MED BIOTECHNOLOGY CAMS (CN) 2016-02-10 EP disclosed
US-8710098-B2 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Chinese Academy of Medical Science (CN) 2014-04-29 US disclosed
EP-2351731-A1 A GROUP OF AMINO SUBSTITUTED BENZOYL DERIVATIVES AND THEIR PREPARATION AND THEIR USE Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2011-08-03 EP disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 KMT2A 964/4885MEN1 4747/4885MAPT 3474/4885

“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.