SCHEMBL6482272

SCHEMBL6482272

COc1cccc(OC)c1C(=O)n1c(C)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
RORC P51449 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
ELANE P08246 2/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
CTRB1 P17538 1/20 0.41

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
SCHEMBL6490943 0.85 CYP19A1 (0.43) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL6490326 0.83 RORC (0.44) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL6480444 0.83 MAPT (0.42) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL6490788 0.81 TUBB1 (0.50) TUBB1KMT2AALDH1A1MEN1LMNA
SCHEMBL27909522 0.79 KMT2A (0.45) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL6494950 0.79 RORC (0.42) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL6488524 0.77 MAPT (0.40) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL6750905 0.77 CYP19A1 (0.49) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL27628310 0.76 CYP19A1 (0.45) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL6232382 0.74 AKR1C3 (0.46) TUBB1KMT2AALDH1A1MEN1LMNA

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-20050215614-A1 Substituted indoles and their use as hcv inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-09-29 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-20050215614-A1 Substituted indoles and their use as hcv inhibitors IDO1, IDO2, HAVCR2 TUBB1 427/4885KMT2A 3232/4885ALDH1A1 411/4885

“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.