SCHEMBL5657623

SCHEMBL5657623

COc1cc([N+](=O)[O-])ccc1C(O)c1cc(C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 5/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL5656240 0.89 POLB (0.41) HTTKMT2ALMNAMEN1MAPT
SCHEMBL5655395 0.84 ALDH1A1 (0.48) HTTPKMTDP1KMT2ALMNA
SCHEMBL29745600 0.75 HTT (0.58) HTTPKMTDP1KMT2ALMNA
SCHEMBL7517823 0.75 HTT (0.58) HTTPKMTDP1KMT2ALMNA
SCHEMBL26042832 0.72 HTT (0.62) HTTPKMTDP1KMT2ALMNA
SCHEMBL5656690 0.70 L3MBTL1 (0.44) HTTTDP1KMT2ALMNAMEN1
SCHEMBL1531305 0.69 HTT (0.58) HTTPKMTDP1KMT2ALMNA
SCHEMBL11643336 0.69 TSHR (0.43) MAPTSMN1; SMN2
SCHEMBL1626031 0.69 ALDH1A1 (0.51) HTTPKMTDP1KMT2ALMNA
SCHEMBL5656333 0.68 CNR2 (0.39) HTTPKMKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 HTT 3606/4885PKM 1328/4885TDP1 3513/4885

“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.