SCHEMBL9895015

SCHEMBL9895015

Cn1cc(-c2ccccc2Cl)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.52
BRD4 O60885 1/20 0.51
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
IDO1 P14902 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
LDHA P00338 1/20 0.41
MAOB P27338 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
BCHE P06276 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39

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
SCHEMBL19454747 0.79 BRD4 (0.53) BRD4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14446679 0.79 BRD4 (0.49) BRD4SMN1; SMN2ALDH1A1LMNATLR8
SCHEMBL17844430 0.78 BRD4 (0.51) HSD11B1BRD4NPC1RAB9ASMN1; SMN2
SCHEMBL2688099 0.78 BRD4 (0.51) HSD11B1BRD4NPC1IDO1TLR8
SCHEMBL19449439 0.77 HSD11B1 (0.43) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20812234 0.77 HSD11B1 (0.43) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17581946 0.76 BRD4 (0.38) BRD4KDM4E
SCHEMBL27021629 0.75 BRD4 (0.49) BRD4ALDH1A1ALOX15DPP4KDM4E
SCHEMBL3595221 0.75 BRD4 (0.64) HSD11B1BRD4ALDH1A1TLR8HPGD
SCHEMBL29009123 0.75 HSD11B1 (0.44) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189050-B1 ANTIVIRAL AGENTS AND USES THEREOF UNIV GRIFFITH (AU) 2020-02-05 EP disclosed
EP-2649064-B1 NOVEL TRIAZOLE COMPOUNDS III HOFFMANN LA ROCHE (CH) 2019-10-02 EP disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 US disclosed
EP-2649064-A1 NOVEL TRIAZOLE COMPOUNDS III F. Hoffmann-La Roche AG (CH) 2013-10-16 EP disclosed
US-8466181-B2 1,2,3-triazole-imidazole compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-18 US disclosed
WO-2012076590-A1 NOVEL TRIAZOLE COMPOUNDS III F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-14 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 (2 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-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF RNASE1, ENTPD5, ACE HSD11B1 3183/4885BRD4 1940/4885NPC1 1326/4885
US-20120149675-A1 1,2,3-TRIAZOLE-IMIDAZOLECOMPOUNDS GABRA5, GABRA1, GABRB1 HSD11B1 525/4885BRD4 1455/4885NPC1 1187/4885

“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.