SCHEMBL12853136

SCHEMBL12853136

CCc1cn(CCc2ccccc2)nn1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.59
CYP19A1 P11511 5/20 0.58
MAOA P21397 1/20 0.58
GBA1 P04062 1/20 0.57
HRH4 Q9H3N8 4/20 0.50
HRH3 Q9Y5N1 3/20 0.50
KDM4E B2RXH2 1/20 0.45
KDM6B O15054 1/20 0.45
KDM4A O75164 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
KDM1A O60341 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
QPCT Q16769 1/20 0.44
QPCTL Q9NXS2 1/20 0.44

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
SCHEMBL16206231 0.83 GBA1 (0.60) MAOBCYP19A1MAOAGBA1HRH4
SCHEMBL27777026 0.83 GBA1 (0.57) MAOBCYP19A1MAOAGBA1HRH4
SCHEMBL15014123 0.83 CYP19A1 (0.76) MAOBCYP19A1MAOAHRH4NPC1
SCHEMBL16903654 0.83 MAOB (0.55) MAOBCYP19A1MAOAGBA1HRH4
SCHEMBL15836589 0.80 CYP19A1 (0.72) MAOBCYP19A1MAOAGBA1HRH4
SCHEMBL16906517 0.79 MAOB (0.51) MAOBCYP19A1MAOAGBA1HRH4
SCHEMBL16401668 0.79 GBA1 (0.52) MAOBCYP19A1MAOAGBA1HRH4
SCHEMBL31415830 0.79 CYP19A1 (0.50) MAOBCYP19A1MAOAGBA1HRH4
SCHEMBL16092964 0.78 MAPT (0.49) CYP19A1MAOAHRH3
SCHEMBL13074186 0.78 CYP19A1 (0.64) MAOBCYP19A1MAOAGBA1HRH4

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-9447103-B2 Inauhzin analogues that induce P53, inhibit cell growth, and have antitumor activity INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2016-09-20 US disclosed
US-20150197522-A1 INAUHZIN ANALOGUES THAT INDUCE P53, INHIBIT CELL GROWTH, AND HAVE ANTITUMOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORP. (US) 2015-07-16 US disclosed
US-8470985-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-8278281-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20100016955-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 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 (3 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-20100016956-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, PGC MAOB 1477/4885CYP19A1 2156/4885MAOA 1668/4885
US-20100016955-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, VIP MAOB 1760/4885CYP19A1 2296/4885MAOA 1972/4885
US-20150197522-A1 INAUHZIN ANALOGUES THAT INDUCE P53, INHIBIT CELL GROWTH, AND HAVE ANTITUMOR ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NOP58 MAOB 4665/4885CYP19A1 4127/4885MAOA 4051/4885

“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.