SCHEMBL1897336

SCHEMBL1897336

COC(=O)c1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.59
PLAU P00749 3/20 0.59
ELANE P08246 3/20 0.59
F2 P00734 2/20 0.59
CYP1A2 P05177 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLC16A3 O15427 1/20 0.54
F2RL3 Q96RI0 1/20 0.54
CNR1 P21554 2/20 0.51
ACHE P22303 1/20 0.51
CNR2 P34972 1/20 0.51
USP30 Q70CQ3 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL29459644 0.91 PTGER4 (0.61) PTGER4PLAUELANEF2CYP1A2
SCHEMBL24273650 0.91 PTGER4 (0.61) PTGER4PLAUELANEF2CYP1A2
SCHEMBL1214430 0.90 PTGER4 (0.62) PTGER4PLAUELANEF2CYP1A2
SCHEMBL2433523 0.90 PTGER4 (0.68) PTGER4PLAUELANEF2CNR1
SCHEMBL19381384 0.89 PTGER4 (0.58) PTGER4PLAUELANEF2CYP1A2
SCHEMBL3428140 0.87 PTGER4 (0.52) PTGER4PLAUELANEF2CYP1A2
SCHEMBL3430873 0.86 PTGER4 (0.51) PTGER4PLAUELANEF2CYP1A2
SCHEMBL8426872 0.85 CNR1 (0.57) PTGER4ELANECYP1A2SMN1; SMN2SLC16A3
SCHEMBL1214836 0.85 ELANE (0.64) PTGER4PLAUELANEF2CYP1A2
SCHEMBL7745247 0.84 ELANE (0.60) PTGER4PLAUELANEF2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423379-B Substituted 3-indazole Mcl-1 protein inhibitor, preparation method and application 湖南科技大学 2021-08-03 CN disclosed
CN-111423379-A Substituted 3-indazole Mcl-1 protein inhibitor, preparation method and application 湖南科技大学 2020-07-17 CN disclosed
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP disclosed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 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 (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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B PTGER4 1250/4885PLAU 4098/4885ELANE 2277/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C PTGER4 1123/4885PLAU 3885/4885ELANE 2216/4885

“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.