SCHEMBL2073096

SCHEMBL2073096

CCOC(=O)Nc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
GLA P06280 1/20 0.48
POLB P06746 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2070712 0.90 SMN1; SMN2 (0.55) ALDH1A1KMT2AMAPTSMN1; SMN2CYP2C9
SCHEMBL2070549 0.86 MAPT (0.70) ALDH1A1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL11159531 0.85 MAPT (0.62) ALDH1A1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL2070357 0.85 KMT2A (0.55) ALDH1A1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL2069778 0.84 MAPT (0.69) ALDH1A1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL7576322 0.84 ALDH1A1 (0.56) ALDH1A1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL11086324 0.83 KMT2A (0.76) ALDH1A1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL2070257 0.83 PKM (0.78) ALDH1A1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL3010106 0.81 HTT (0.52) ALDH1A1KMT2AMAPTSMN1; SMN2PKM
SCHEMBL9119558 0.81 POLB (0.66) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA

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-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed
US-20060183791-A1 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2006-08-17 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-20060183791-A1 Substituted p-diaminobenzene derivatives ABCB1, UGT2B7, CYP2D6 ALDH1A1 112/4885KMT2A 3706/4885MAPT 3488/4885

“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.