SCHEMBL4469238

SCHEMBL4469238

Oc1cc(Br)cc(CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
IDO1 P14902 2/20 0.38
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LTA4H P09960 1/20 0.34
BACE1 P56817 1/20 0.33
PTGS2 P35354 4/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX5 P09917 1/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AGXT P21549 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL1051360 0.84 ACHE (0.55) ACHECYP3A4TSHRLTA4HBACE1
SCHEMBL6952112 0.84 ACHE (0.48) ACHECYP3A4TSHRLTA4HBACE1
SCHEMBL28742800 0.81 LTA4H (0.41) ACHEIDO1CYP3A4TSHRTDP1
SCHEMBL642402 0.81 IDO1 (0.40) IDO1CYP3A4TSHRTDP1TRPA1
SCHEMBL400236 0.81 IDO1 (0.46) IDO1CYP3A4TSHRTDP1TRPA1
SCHEMBL200104 0.80 ACHE (0.67) ACHEIDO1CYP3A4TSHRTDP1
SCHEMBL24264540 0.78 IDO1 (0.46) ACHEIDO1CYP3A4TSHRTDP1
SCHEMBL3987382 0.78 PTGS2 (0.40) ACHEIDO1CYP3A4TSHRTDP1
SCHEMBL12811988 0.78 ACHE (0.39) ACHEIDO1CYP3A4TSHRTDP1
SCHEMBL6542413 0.76 CA2 (0.44) ACHEIDO1CYP3A4TSHRTDP1

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
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
CN-105722823-A NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE 科尔泰多公众股份公司 2016-06-29 CN disclosed
US-7476675-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-01-13 US disclosed
EP-1603880-B1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-05-07 EP disclosed
EP-1603880-A1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-12-14 EP disclosed
US-20050261308-A1 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-11-24 US disclosed
US-6943169-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
WO-2004080969-A1 QUINOLINONE / BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed
US-20040186092-A1 Quinolinone derivaties and uses thereof ROCHE PALO ALTO LLC 2004-09-23 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-20040186092-A1 Quinolinone derivaties and uses thereof NQO2, UGT1A8, UGT1A1 ACHE 1143/4885IDO1 1120/4885CYP3A4 33/4885
US-20050261308-A1 Quinolinone derivatives and uses thereof RECQL, NQO2, QRFPR ACHE 830/4885IDO1 1518/4885CYP3A4 53/4885

“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.