SCHEMBL6232382

SCHEMBL6232382

Cc1cc2cc([N+](=O)[O-])ccc2n1C(=O)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
TUBB1 Q9H4B7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 2/20 0.40
DCTPP1 Q9H773 1/20 0.39
CCR2 P41597 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
CYP19A1 P11511 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
F2 P00734 2/20 0.38
PLAU P00749 2/20 0.38
ELANE P08246 2/20 0.38
CTRB1 P17538 2/20 0.38
KLKB1 P03952 1/20 0.38

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
SCHEMBL6490326 0.81 RORC (0.44) AKR1C3AKR1C2SMN1; SMN2KMT2AMEN1
SCHEMBL6229626 0.80 AKR1C3 (0.50) AKR1C3AKR1C2TUBB1SMN1; SMN2KMT2A
SCHEMBL6750905 0.79 CYP19A1 (0.49) KMT2AMEN1MAPTCCR2ALDH1A1
SCHEMBL27628310 0.78 CYP19A1 (0.45) KMT2AMEN1MAPTCCR2ALDH1A1
SCHEMBL6490943 0.78 CYP19A1 (0.43) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL6494950 0.76 RORC (0.42) AKR1C3AKR1C2SMN1; SMN2KMT2AMEN1
SCHEMBL6480444 0.76 MAPT (0.42) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL6747189 0.76 MEN1 (0.45) SMN1; SMN2KMT2AMEN1MAPTCCR2
SCHEMBL27909522 0.76 KMT2A (0.45) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL6482272 0.74 TUBB1 (0.46) AKR1C3AKR1C2TUBB1SMN1; SMN2KMT2A

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-20050215614-A1 Substituted indoles and their use as hcv inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-09-29 US disclosed
EP-1554271-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2005-07-20 EP disclosed
WO-2004035571-A1 SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2004-04-29 WO 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 AKR1C3 1399/4885AKR1C2 1501/4885TUBB1 427/4885

“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.