SCHEMBL13622980

SCHEMBL13622980

Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.76
MEN1 O00255 8/20 0.76
MAPT P10636 4/20 0.76
POLB P06746 1/20 0.76
BLM P54132 1/20 0.76
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
THRA P10827 1/20 0.64
ALDH1A1 P00352 3/20 0.62
SETD7 Q8WTS6 1/20 0.62
PKM P14618 1/20 0.60
SENP1 Q9P0U3 1/20 0.60
LMNA P02545 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
Hydrochloric Acid SCHEMBL1026362 0.99 KMT2A (0.74) KMT2AMEN1MAPTPOLBBLM
SCHEMBL10943066 0.90 KMT2A (0.94) KMT2AMEN1MAPTPOLBBLM
SCHEMBL6816842 0.87 KMT2A (0.86) KMT2AMEN1MAPTPOLBBLM
SCHEMBL18050985 0.87 MEN1 (0.63) KMT2AMEN1MAPTPOLBBLM
SCHEMBL18300094 0.87 MEN1 (1.00) KMT2AMEN1MAPTPOLBBLM
SCHEMBL32690121 0.87 MEN1 (1.00) KMT2AMEN1MAPTPOLBBLM
SCHEMBL30868371 0.85 KMT2A (0.88) KMT2AMEN1MAPTPOLBBLM
SCHEMBL299879 0.85 KMT2A (0.88) KMT2AMEN1MAPTPOLBBLM
SCHEMBL1883258 0.84 MEN1 (0.71) KMT2AMEN1MAPTPOLBBLM
SCHEMBL17409104 0.84 MEN1 (0.78) KMT2AMEN1MAPTPOLBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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 (3 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK KMT2A 382/4885MEN1 1321/4885MAPT 3239/4885
US-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR KMT2A 3925/4885MEN1 1926/4885MAPT 3962/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KMT2A 4131/4885MEN1 1172/4885MAPT 3976/4885

“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.