SCHEMBL1283591

SCHEMBL1283591

CCCCNc1cc(Oc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
SIRT5 Q9NXA8 2/20 0.46
MAPT P10636 8/20 0.46
HCAR3 P49019 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
KAT2B Q92831 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
ALPG P10696 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL762553 0.82 SMN1; SMN2 (0.60) HTR6SIRT5MAPTHCAR3POLB
SCHEMBL10883321 0.81 ALDH1A1 (0.45) HTR6MAPTHCAR3ALDH1A1NPSR1
SCHEMBL1283685 0.79 RAB9A (0.46) MAPTPOLBALDH1A1NPSR1HPGD
SCHEMBL27847152 0.78 MAPT (0.58) MAPTHCAR3POLBPKMALDH1A1
SCHEMBL6400130 0.74 MAPT (0.50) HTR6SIRT5MAPTHCAR3POLB
SCHEMBL23651407 0.74 MAPT (0.52) HTR6SIRT5MAPTPOLBPKM
SCHEMBL4981533 0.74 SIRT5 (0.55) HTR6SIRT5MAPTHCAR3POLB
SCHEMBL4980984 0.73 HCAR3 (0.58) SIRT5MAPTHCAR3POLBPKM
SCHEMBL11048929 0.73 MAPT (0.65) MAPTHCAR3POLBPKMALDH1A1
SCHEMBL1283854 0.73 MAPT (0.54) MAPTHCAR3POLBPKMALDH1A1

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 8 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
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 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 (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 HTR6 3366/4885SIRT5 2216/4885MAPT 526/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HTR6 3329/4885SIRT5 1990/4885MAPT 406/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HTR6 3290/4885SIRT5 1996/4885MAPT 430/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B HTR6 3290/4885SIRT5 1996/4885MAPT 430/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HTR6 3290/4885SIRT5 1996/4885MAPT 430/4885

“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.