SCHEMBL797463

SCHEMBL797463

COc1ccc(Cn2cc(C=O)c3ccccc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
HTT P42858 2/20 0.69
POLB P06746 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
KMT2A Q03164 2/20 0.63
MAPT P10636 2/20 0.63
CHRM1 P11229 1/20 0.59
CHRNB2 P17787 1/20 0.58
CHRNA7 P36544 1/20 0.58
CHRNA4 P43681 1/20 0.58
LMNA P02545 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
HTR6 P50406 1/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
P2RX4 Q99571 1/20 0.53

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
SCHEMBL28239560 0.88 POLB (0.60) ALDH1A1SMN1; SMN2HTTPOLBL3MBTL1
SCHEMBL8758318 0.86 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTPOLBL3MBTL1
SCHEMBL9733117 0.86 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTPOLBL3MBTL1
SCHEMBL9584018 0.84 PLA2G2A (0.61) ALDH1A1LMNAHTR6
SCHEMBL1418988 0.84 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL29377589 0.84 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL797444 0.84 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HTTPOLBL3MBTL1
SCHEMBL28538675 0.84 POLB (0.67) ALDH1A1SMN1; SMN2HTTPOLBL3MBTL1
SCHEMBL797443 0.84 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HTTPOLBL3MBTL1
SCHEMBL28467279 0.83 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2HTTPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047226-B Matrine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
CN-108358923-B Sophoridine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
CN-108358923-A Sophoridine pyrroles, indole derivatives and the preparation method and application thereof 广西大学 2018-08-03 CN claimed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
CN-103108871-B 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2014-09-10 CN disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 ALDH1A1 68/4885SMN1; SMN2 4109/4885HTT 2531/4885

“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.