SCHEMBL25822301

SCHEMBL25822301

Cc1cc(Oc2ccnc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 2/20 0.52
GRM5 P41594 5/20 0.52
BRAF P15056 1/20 0.52
PYGL P06737 3/20 0.50
THRB P10828 1/20 0.50
MAPK9 P45984 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDR P35968 1/20 0.49

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
SCHEMBL25822329 0.89 MAPT (0.62) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL25822252 0.89 SMN1; SMN2 (0.60) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL24010619 0.82 GRM5 (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1GRM5
SCHEMBL25822220 0.80 ALDH1A1 (0.50) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL24010623 0.79 GRM5 (0.54) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL25822054 0.78 KMT2A (0.66) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL25822189 0.78 BRAF (0.70) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL10090737 0.77 ALDH1A1 (0.78) KMT2AMEN1SMN1; SMN2LMNARAB9A
SCHEMBL24010361 0.77 GRM5 (0.54) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL25821722 0.77 CYP1A2 (0.57) KMT2AMEN1MAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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-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.