SCHEMBL15466341

SCHEMBL15466341

O=C1OCCc2cnccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
PRF1 P14222 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CDC25B P30305 1/20 0.36
ALOX5 P09917 1/20 0.35
ROCK2 O75116 4/20 0.35
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PDE3B Q13370 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
SCHEMBL798279 0.85 MAOA (0.41) MAOAMAOBSIGMAR1PRF1CHRNB2
Hydrochloric Acid SCHEMBL27185618 0.84 MAOA (0.40) MAOAMAOBSIGMAR1PRF1CHRNB2
SCHEMBL6608536 0.81 MAOA (0.55) MAOAMAOBPRF1ALOX5ROCK2
SCHEMBL29797968 0.74 MAOA (0.61) MAOAMAOBCYP1A2ALDH1A1
SCHEMBL75814 0.74 MAOA (0.61) MAOAMAOBCYP1A2ALDH1A1
Norharmane SCHEMBL29102397 0.73 CHUK (0.57) MAOAMAOBCYP1A2ALDH1A1LMNA
SCHEMBL31033492 0.72
SCHEMBL4323285 0.72 CYP1A2 (0.53) MAOAMAOBSIGMAR1CHRNB2CHRNA4
SCHEMBL29792666 0.72 CYP1A2 (0.53) MAOAMAOBSIGMAR1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL28482741 0.72 MAOA (0.59) MAOAMAOBSIGMAR1CYP1A2ALDH1A1

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-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
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US 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
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 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 (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 MAOA 354/4885MAOB 298/4885SIGMAR1 3320/4885

“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.