SCHEMBL9513657

SCHEMBL9513657

CCCCOc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
VCAM1 P19320 11/20 0.53
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
RAF1 P04049 1/20 0.49
HPGD P15428 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 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
SCHEMBL14290088 0.94 MAPT (0.64) MAPTVCAM1ALDH1A1LMNAMAPK1
SCHEMBL28853175 0.88 MAPT (0.60) MAPTVCAM1ALDH1A1LMNAMAPK1
SCHEMBL4949648 0.87 MAPT (0.62) MAPTVCAM1ALDH1A1LMNAMAPK1
SCHEMBL4983657 0.86 KDM4E (0.66) MAPTVCAM1ALDH1A1KMT2A
SCHEMBL7206840 0.86 MAPT (0.47) MAPTVCAM1ALDH1A1LMNAMAPK1
SCHEMBL5458467 0.84 VCAM1 (0.49) MAPTVCAM1ALDH1A1LMNAMAPK1
SCHEMBL14453653 0.84 KDM4E (0.56) MAPTVCAM1ALDH1A1KMT2A
SCHEMBL11450339 0.83 VCAM1 (0.59) VCAM1ALDH1A1HPGD
SCHEMBL9277559 0.83 MAPT (0.61) MAPTALDH1A1LMNAMAPK1TLR4
SCHEMBL4257371 0.83 MAPT (0.57) MAPTALDH1A1LMNAMAPK1TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150030540-A1 Imaging agents for detecting neurological dysfunction LILLY CO ELI (US) 2015-01-29 US disclosed
US-8932557-B2 Imaging agents for detecting neurological dysfunction ELI LILLY AND COMPANY (US) 2015-01-13 US disclosed
EP-2599763-A1 Novel imaging agents for detecting neurological dysfunction Siemens Molecular Imaging, Inc. (US) 2013-06-05 EP disclosed
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-29 US disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 US disclosed
US-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTION USA, INC. 2011-04-21 US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 US disclosed
EP-0268849-B1 Poly(aminoaromatic) compounds DOW CHEMICAL CO (US) 1993-10-20 EP disclosed
US-5079275-A Polyamino compound is an amino endcapped polyether, polyester, polycarbonate, resole, hydroxybutadiene THE DOW CHEMICAL COMPANY (US) 1992-01-07 US disclosed
US-4847416-A Capping of polyols with aromatic amines THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
EP-0268849-A2 Poly(aminoaromatic) compounds THE DOW CHEMICAL COMPANY (US) 1988-06-01 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 (4 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-20110091382-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION FABP7, TSPO, SLC18A3 MAPT 39/4885VCAM1 830/4885ALDH1A1 3134/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO MAPT 35/4885VCAM1 811/4885ALDH1A1 3189/4885
US-20150030540-A1 Imaging agents for detecting neurological dysfunction SLC18A3, TSPO, CHAT MAPT 36/4885VCAM1 1459/4885ALDH1A1 2661/4885
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SLC18A3, TSPO, CHAT MAPT 36/4885VCAM1 1459/4885ALDH1A1 2661/4885

“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.