SCHEMBL4781802

SCHEMBL4781802

CN1CCN(c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
HRH4 Q9H3N8 4/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 2/20 0.46
CDC7 O00311 1/20 0.45
EIF2AK2 P19525 1/20 0.45
SLC6A4 P31645 1/20 0.44
JAK2 O60674 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 1/20 0.43
ABCC1 P33527 1/20 0.43

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
SCHEMBL4785656 0.95 LMNA (0.54) MAPTHPGDSIRT6APPBCHE
SCHEMBL4784574 0.90 SIRT6 (0.50) MAPTHPGDSIRT6APPBCHE
SCHEMBL30833799 0.90 SIRT6 (0.50) MAPTHPGDSIRT6APPBCHE
SCHEMBL4783385 0.85 ALDH1A1 (0.54) MAPTHPGDLMNACNR2ALDH1A1
SCHEMBL2466571 0.85 MAPK1 (0.52) MAPTHPGDACHECDC7ALDH1A1
SCHEMBL4799096 0.84 ALDH1A1 (0.46) MAPTHPGDLMNACNR2ALDH1A1
SCHEMBL29190644 0.79 MEN1 (0.41) SIRT6APPBCHEACHEHRH4
SCHEMBL30833752 0.79 MEN1 (0.41) SIRT6APPBCHEACHEHRH4
SCHEMBL22860166 0.78 HRH4 (0.51) MAPTHPGDACHEHRH4LMNA
SCHEMBL6641272 0.78 MAPT (0.48) MAPTHPGDSIRT6ACHEHRH4

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
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
US-5077405-A Condensation of corresponding phenylsulfonyl compound with condensation agent, cyanation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-12-31 US disclosed
US-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R MAPT 1651/4885HPGD 730/4885SIRT6 3467/4885

“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.