SCHEMBL3083302

SCHEMBL3083302

O=C1Nc2c(ccc(F)c2F)C1(c1ccc(OCc2ccccc2)cc1)n1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.41
CYP19A1 P11511 6/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
MMP13 P45452 4/20 0.40
MMP2 P08253 3/20 0.40
ADAM17 P78536 4/20 0.35
QPCT Q16769 1/20 0.34
MMP9 P14780 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 1/20 0.34
RORC P51449 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
SCHEMBL3082734 0.84 HMOX1 (0.39) HMOX1CYP19A1CYP11B1CYP11B2MMP13
SCHEMBL3091178 0.82 CYP19A1 (0.37) CYP19A1
SCHEMBL3093541 0.76 MMP13 (0.47) MMP13MMP2NPC1RAB9ARORC
SCHEMBL5479452 0.74 LMNA (0.48) MMP13MMP2NPC1RAB9AL3MBTL1
SCHEMBL3084220 0.62 CHRM2 (0.35) MMP13MMP2MMP9
SCHEMBL27651636 0.62 CYP3A4 (0.70) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL7477480 0.61 HMOX1 (0.75) HMOX1CYP19A1CYP11B1CYP11B2QPCT
SCHEMBL8279032 0.60 MMP2 (0.48) MMP13MMP2NPC1RAB9AL3MBTL1
SCHEMBL9233657 0.59 MMP13 (0.71) MMP13MMP2ADAM17MMP9NPC1
SCHEMBL542696 0.59 MMP13 (0.71) MMP13MMP2ADAM17MMP9NPC1

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 4 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
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 HMOX1 134/4885CYP19A1 206/4885CYP11B1 26/4885

“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.