SCHEMBL960247

SCHEMBL960247

O=C(Nc1nn(Cc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
P2RY14 Q15391 1/20 0.51
PTGER4 P35408 1/20 0.49
CNR1 P21554 1/20 0.48
ACHE P22303 1/20 0.48
CNR2 P34972 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MITF O75030 2/20 0.47
POLB P06746 1/20 0.47
ADORA3 P0DMS8 2/20 0.46
P2RX4 Q99571 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
SCHEMBL959604 0.87 FSCN1 (0.62) FSCN1P2RY14PTGER4CNR1ACHE
SCHEMBL958517 0.85 PTGER4 (0.59) FSCN1LMNAP2RY14PTGER4NPC1
SCHEMBL958253 0.84 P2RY14 (0.58) FSCN1P2RY14PTGER4ADORA3
SCHEMBL957835 0.81 PTGER4 (0.62) FSCN1MAPTPTGER4CNR1CNR2
SCHEMBL17199347 0.80 FSCN1 (0.60) FSCN1LMNAPTGER4NPC1RAB9A
SCHEMBL17038832 0.79 FSCN1 (0.59) FSCN1MAPTLMNAPTGER4CNR1
SCHEMBL30695082 0.79 FSCN1 (0.59) FSCN1MAPTLMNAPTGER4CNR1
SCHEMBL17038972 0.78 FSCN1 (0.76) FSCN1P2RY14PTGER4NPC1RAB9A
SCHEMBL30695030 0.78 FSCN1 (0.76) FSCN1P2RY14PTGER4NPC1RAB9A
SCHEMBL30015514 0.77 PTGER4 (0.55) KMT2AMEN1MAPTLMNAPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US claimed
CN-101528708-A Indazole derivatives useful as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2009-09-09 CN claimed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 US claimed
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
CN-101528708-A Indazole derivatives useful as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2009-09-09 CN disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 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 (2 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 FSCN1 4651/4885ABCG2 267/4885KMT2A 3304/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 FSCN1 4651/4885ABCG2 267/4885KMT2A 3304/4885

“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.