SCHEMBL3085812

SCHEMBL3085812

Cc1cc(Cl)cc2c1NC(=O)C2(O)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.45
ALDH1A1 P00352 4/20 0.41
USP2 O75604 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
CES1 P23141 1/20 0.41
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BRD2 P25440 2/20 0.36
BRD3 Q15059 2/20 0.36
BRDT Q58F21 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 1/20 0.34
AKR1B1 P15121 1/20 0.33

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
SCHEMBL3081894 0.99 BRD4 (0.46) BRD4ALDH1A1USP2POLBMAPT
SCHEMBL3082395 0.99 BRD4 (0.46) BRD4ALDH1A1USP2POLBMAPT
SCHEMBL3080828 0.86 KMT2A (0.49) BRD4ALDH1A1POLBMAPTBRD2
SCHEMBL3093535 0.84 KMT2A (0.48) BRD4ALDH1A1POLBMAPTBRD2
SCHEMBL3093617 0.84 KMT2A (0.48) BRD4ALDH1A1POLBMAPTBRD2
SCHEMBL3089419 0.83 BRD4 (0.42) BRD4ALDH1A1POLBHSD17B10BRD2
SCHEMBL3077997 0.82 BRD4 (0.43) BRD4ALDH1A1POLBBRD2BRD3
SCHEMBL3086306 0.82 BRD4 (0.43) BRD4ALDH1A1POLBBRD2BRD3
SCHEMBL3089634 0.81 BRD4 (0.41) BRD4ALDH1A1MAPK1BRD2BRD3
SCHEMBL3078108 0.80 BRD4 (0.42) BRD4ALDH1A1MAPK1KMT2AMEN1

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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
US-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TOPOTARGET A/S (DK) 2010-09-09 US disclosed
EP-2139856-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS Topotarget A/S (DK) 2010-01-06 EP disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 WO disclosed
WO-2008129075-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE-COMPOUNDS TOPOTARGET A/S (DK) 2008-10-30 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 (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-20100227863-A1 SUBSTITUTED 3-(4-HYDROXYPHENYL)-INDOLIN-2-ONE COMPOUNDS TPH2, TPH1, HTR2C BRD4 616/4885ALDH1A1 360/4885USP2 4457/4885

“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.