SCHEMBL959696

SCHEMBL959696

NC(=O)c1ccc(Cn2nc(C(=O)O)c3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.63
CYP2D6 P10635 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CNR1 P21554 1/20 0.50
ELANE P08246 1/20 0.47
F2RL3 Q96RI0 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
RORC P51449 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
SCHEMBL16341196 0.91 PTGER4 (0.57) PTGER4CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL1225871 0.87 PTGER4 (0.66) PTGER4CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL29805498 0.87 PTGER4 (0.66) PTGER4CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL16341492 0.87 CYP2D6 (0.56) PTGER4CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL30493974 0.85 CYP1A2 (0.70) PTGER4CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL3500587 0.85 CYP1A2 (0.70) PTGER4CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL14584207 0.85 PTGER4 (0.60) PTGER4CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL3775553 0.85 PTGER4 (0.60) PTGER4CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL31647277 0.85 PTGER4 (0.60) PTGER4CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL24273636 0.84 PTGER4 (0.59) PTGER4CYP2D6CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PTGER4 1048/4885CYP2D6 271/4885CYP1A2 51/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 PTGER4 1048/4885CYP2D6 271/4885CYP1A2 51/4885

“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.