SCHEMBL3783075

SCHEMBL3783075

O=C(O)c1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.54
CPT1A P50416 3/20 0.52
CPT1B Q92523 3/20 0.52
CYP2C9 P11712 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MCL1 Q07820 1/20 0.47
CNR1 P21554 1/20 0.47
PPARG P37231 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL29459618 1.00 PTGER4 (0.54) PTGER4CPT1ACPT1BCYP2C9CYP1A2
SCHEMBL3771874 0.89 CNR1 (0.51) PTGER4CPT1ACPT1BCYP2D6CNR1
SCHEMBL1967040 0.88 MCL1 (0.53) PTGER4CPT1ACPT1BCYP2C9CYP1A2
SCHEMBL1967017 0.88 CPT1A (0.48) PTGER4CPT1ACPT1BCYP2C9CYP1A2
SCHEMBL3784936 0.85 CPT1A (0.68) PTGER4CPT1ACPT1BCYP2C9CYP1A2
SCHEMBL2432735 0.84 PTGER4 (0.72) PTGER4CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL24273140 0.83 PTGER4 (0.74) PTGER4CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL1225871 0.83 PTGER4 (0.66) PTGER4CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL29805498 0.83 PTGER4 (0.66) PTGER4CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL1218213 0.82 PTGER4 (0.71) PTGER4CYP2C9CYP1A2CYP3A4CYP2D6

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 11 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 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
CN-116438162-A Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2023-07-14 CN disclosed
WO-2022061008-A2 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-03-24 WO disclosed
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 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 (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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 PTGER4 1048/4885CPT1A 1/4885CPT1B 2/4885

“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.