SCHEMBL5844444

SCHEMBL5844444

CCCCNCCc1cc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RIPK1 Q13546 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR4A2 P43354 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
MPO P05164 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL27309558 0.75 GRIN2D (0.32) MAPTALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL7480289 0.74 NR4A2 (0.45) MAPTL3MBTL1ALDH1A1TDP1RIPK1
SCHEMBL6430296 0.73 S1PR4 (0.32) MAPTL3MBTL1GRIN2DGRIN3BGRIN1
SCHEMBL7480441 0.73 NR4A2 (0.44) MAPTL3MBTL1ALDH1A1TDP1NR4A2
SCHEMBL6428299 0.69 MAPT (0.36) MAPTL3MBTL1ALDH1A1TDP1MEN1
SCHEMBL5844440 0.68 CRHR1 (0.43) MAPTCYP3A4
SCHEMBL7480436 0.68 HCAR3 (0.34) MAPTL3MBTL1ALDH1A1TDP1NR4A2
SCHEMBL1625178 0.68 ALDH1A1 (0.47) MAPTL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL29779688 0.68 ALDH1A1 (0.47) MAPTL3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL563664 0.68 ALDH1A1 (0.50) MAPTALDH1A1TDP1MEN1KMT2A

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-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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 (2 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 MAPT 2253/4885L3MBTL1 1827/4885ALDH1A1 4505/4885
US-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 MAPT 1457/4885L3MBTL1 3243/4885ALDH1A1 4423/4885

“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.