SCHEMBL6801290

SCHEMBL6801290

Cc1ccc(Nc2cccc3nc4ccccc4c(C)c23)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 9/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
MEN1 O00255 7/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 5/20 0.46
NPC1 O15118 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GLA P06280 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
ABCB1 P08183 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6791960 0.82 KMT2A (0.63) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL6797100 0.78 KMT2A (0.46) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL38659285 0.73 MEN1 (0.68) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL6786741 0.72 NPC1 (0.46) MAPTKMT2ASMN1; SMN2MEN1RAB9A
SCHEMBL7162207 0.70 PTGS2 (0.56) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL11501387 0.69 ALDH1A1 (0.45) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL26023168 0.68 ALDH1A1 (0.57) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL27801296 0.66 ALDH1A1 (0.52) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11843531 0.66 ALDH1A1 (0.52) MAPTALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL13313368 0.66 KLK3 (0.56) MAPTALDH1A1KMT2APOLBSMN1; SMN2

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-6821983-B2 INHIBITORS OF TOPOISOMERASE II CAN EXHIBIT ANTITUMOR ACTIVITY ACADEMIA SINICA (TW) 2004-11-23 US disclosed
US-20040198765-A1 5-(9-ACRIDINYLAMINO)-TOLUIDINE COMPOUNDS ACADEMIA SINICA (TW) 2004-10-07 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-20040198765-A1 5-(9-ACRIDINYLAMINO)-TOLUIDINE COMPOUNDS DPP9, NANP, NAT1 MAPT 918/4885ALDH1A1 224/4885KMT2A 2871/4885

“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.