SCHEMBL4042096

SCHEMBL4042096

CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 15/20 0.74
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
CYP1A2 P05177 1/20 0.58
XBP1 P17861 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL3029308 0.89 ALOX15 (0.74) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL4077176 0.89 ALDH1A1 (0.69) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL4358217 0.88 ALOX15 (0.81) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL8793660 0.87 ALOX15 (0.85) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL14174311 0.86 ALOX15 (0.70) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL26213307 0.86 ALOX15 (0.70) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL4045222 0.85 ALOX15 (0.69) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL1121564 0.84 KDM4E (0.59) ALOX15ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL11559665 0.84 ALDH1A1 (0.70) ALOX15ALDH1A1HPGDCYP1A2XBP1
SCHEMBL469602 0.84 ALOX15 (1.00) ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 WO disclosed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 WO disclosed
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 US disclosed
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 ALOX15 1095/4885ALDH1A1 98/4885HPGD 416/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 ALOX15 1001/4885ALDH1A1 1203/4885HPGD 1383/4885

“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.