SCHEMBL1284065

SCHEMBL1284065

CCN(CC)CCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.68
CHRNA4 P43681 1/20 0.68
KDM4E B2RXH2 2/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
ESR1 P03372 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAPT P10636 1/20 0.48
MAOB P27338 1/20 0.47
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1735199 0.93 CHRNB2 (0.74) CHRNB2CHRNA4KDM4ETSHRHPGD
SCHEMBL7042749 0.90 CHRNB2 (0.67) CHRNB2CHRNA4HPGDLMNAMAPT
SCHEMBL7038466 0.86 CHRNB2 (0.86) CHRNB2CHRNA4KDM4EHPGDLMNA
SCHEMBL17905717 0.84 CHRNB2 (0.68) CHRNB2CHRNA4TSHRHPGDLMNA
SCHEMBL491598 0.82 KCNH2 (0.68) KDM4EKCNH2MAPTALDH1A1
SCHEMBL8461839 0.82 CHRNB2 (0.67) CHRNB2CHRNA4TSHRHPGDLMNA
SCHEMBL2374109 0.82 CHRNB2 (0.70) CHRNB2CHRNA4TSHRHPGDLMNA
SCHEMBL14028449 0.82 CHRNB2 (0.69) CHRNB2CHRNA4TSHRHPGDLMNA
SCHEMBL15498199 0.82 CHRNB2 (0.73) CHRNB2CHRNA4TSHRHPGDLMNA
Hydrochloric Acid SCHEMBL10425864 0.81 KCNH2 (0.67) KDM4EKCNH2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO disclosed
EP-1052248-B1 Process for the preparation of aqueous solutions of diazonium salts CLARIANT GMBH (DE) 2003-03-19 EP disclosed
US-6207809-B1 CATALYTIC HYDROGENATION USING THE CORRESPONDING NITRO COMPOUND CLARIANT GMBH (DE) 2001-03-27 US disclosed
EP-1052248-A1 Process for the preparation of aqueous solutions of diazonium salts Clariant GmbH (DE) 2000-11-15 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 (5 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CHRNB2 551/4885CHRNA4 611/4885KDM4E 4107/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CHRNB2 707/4885CHRNA4 591/4885KDM4E 3968/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CHRNB2 505/4885CHRNA4 544/4885KDM4E 4138/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B CHRNB2 505/4885CHRNA4 544/4885KDM4E 4138/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CHRNB2 505/4885CHRNA4 544/4885KDM4E 4138/4885

“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.