SCHEMBL3115121

SCHEMBL3115121

[S]Cc1cc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
HRH3 Q9Y5N1 1/20 0.50
AHR P35869 1/20 0.50
HRH4 Q9H3N8 1/20 0.49
AOC3 Q16853 2/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
IDO1 P14902 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL219867 0.83 LOXL2 (0.64) LOXL2HRH3AHRHRH4AOC3
SCHEMBL7169246 0.82 LOXL2 (0.69) LOXL2HRH3AHRHRH4AOC3
SCHEMBL28338445 0.82 LOXL2 (0.69) LOXL2HRH3AHRHRH4AOC3
SCHEMBL29403791 0.82 LOXL2 (0.69) LOXL2HRH3AHRHRH4AOC3
SCHEMBL31059889 0.82 LOXL2 (0.69) LOXL2HRH3AHRHRH4AOC3
SCHEMBL401081 0.82 LOXL2 (0.69) LOXL2HRH3AHRHRH4AOC3
SCHEMBL3034196 0.80 LOXL2 (0.56) LOXL2HRH3AHRHRH4MTNR1A
SCHEMBL28335219 0.80 LOXL2 (0.67) LOXL2HRH3AHRAOC3MTNR1A
SCHEMBL3022232 0.78 LOXL2 (0.64) LOXL2HRH3AHRHRH4AOC3
SCHEMBL2385292 0.78 LOXL2 (0.64) LOXL2HRH3AHRHRH4AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922423-B Nitrogen-containing tricyclic derivatives having HIV replication inhibiting effect 盐野义制药株式会社 2020-10-27 CN disclosed
CN-111138458-A Nitrogen-containing tricyclic derivatives having HIV replication inhibiting effect 盐野义制药株式会社 2020-05-12 CN disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 LOXL2 3920/4885HRH3 4/4885AHR 45/4885

“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.