SCHEMBL2328968

SCHEMBL2328968

Cc1ccccc1-c1cc2c(nn1)CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
APAF1 O14727 1/20 0.45
TDP2 O95551 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MAOB P27338 1/20 0.45
HTT P42858 1/20 0.45
CNR2 P34972 1/20 0.38
CYP1A2 P05177 5/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37

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
SCHEMBL1385607 0.81 NPC1 (0.38) ALDH1A1NPC1SMN1; SMN2MAPTLMNA
SCHEMBL1383964 0.81 NPC1 (0.38) ALDH1A1NPC1SMN1; SMN2MAPTLMNA
SCHEMBL1382077 0.81 HPGD (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1383142 0.81 NOTUM (0.39) ALDH1A1PKM
SCHEMBL1383436 0.81 HPGD (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1386553 0.81 NOTUM (0.39) ALDH1A1PKM
SCHEMBL1382864 0.78 CNR2 (0.41) CNR2CYP1A2CYP2C19CYP3A4
SCHEMBL1384185 0.78 CNR2 (0.41) CNR2CYP1A2CYP2C19CYP3A4
SCHEMBL1386033 0.74 GRM4 (0.41) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL11645036 0.74 CDK5 (0.44) ALDH1A1KDM4EHPGDMAPTCNR2

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-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP claimed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US claimed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 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 (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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 ALDH1A1 91/4885NPC1 655/4885RAB9A 3579/4885

“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.