SCHEMBL3601682

SCHEMBL3601682

O=C1CCCc2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.44
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 3/20 0.42
GRM5 P41594 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AURKA O14965 1/20 0.37
MAPK10 P53779 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL3606986 0.79 HPGD (0.39) ELANEALDH1A1NPSR1HTTKDM4E
SCHEMBL3606988 0.79 HPGD (0.39) ELANEALDH1A1NPSR1HTTKDM4E
SCHEMBL21987967 0.77 PARP10 (0.41) GRM5AURKA
SCHEMBL15155028 0.74 HTT (0.56) ELANEALDH1A1NPSR1HTTGRM5
SCHEMBL10142387 0.71 ELANE (0.36) ELANEAURKA
SCHEMBL20557488 0.69 GPR119 (0.37) GRM5KDM4E
SCHEMBL3596796 0.69 ENPP2 (0.30) ALDH1A1HTTMAPT
SCHEMBL6792666 0.68 PLK1 (0.50) ELANEALDH1A1HTTGRM5KDM4E
SCHEMBL10192400 0.67 ELANE (0.51) ELANEALDH1A1NPSR1HTTGRM5
SCHEMBL25792684 0.64 ELANE (0.41) ELANEALDH1A1NPSR1HTTGRM5

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-109384793-B Thiol compound with HDAC6 inhibitory activity and application thereof 沈阳药科大学 2021-05-07 CN disclosed
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 US disclosed
EP-2118102-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES Nerviano Medical Sciences S.r.l. (IT) 2009-11-18 EP disclosed
WO-2008065054-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-05 WO disclosed
EP-1478357-B1 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-01-31 EP disclosed
US-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2005-08-11 US disclosed
EP-1478357-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-11-24 EP disclosed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US disclosed
WO-2003070236-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2003-08-28 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 (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-20050176796-A1 Tricyclic pyrazole derivatives, process for their preparation and their use as antitumor agents TP53, NFATC1, MAP3K15 ELANE 3912/4885ALDH1A1 4396/4885NPSR1 4404/4885
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 ELANE 4826/4885ALDH1A1 2469/4885NPSR1 3367/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ELANE 3712/4885ALDH1A1 4449/4885NPSR1 2809/4885

“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.