SCHEMBL4621097

SCHEMBL4621097

CC1(O)Cc2cccc([N+](=O)[O-])c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
GPR35 Q9HC97 2/20 0.43
TSHR P16473 4/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TAS1R3 Q7RTX0 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
SCHEMBL1178197 0.76 GPR35 (0.42) TDP1GPR35TSHRLMNAACHE
SCHEMBL1178198 0.76 GPR35 (0.42) TDP1GPR35TSHRLMNAACHE
SCHEMBL31229354 0.75 ALDH1A1 (0.40) TDP1GPR35TSHRLMNASMN1; SMN2
SCHEMBL1079975 0.75 ALDH1A1 (0.40) TDP1GPR35TSHRLMNASMN1; SMN2
SCHEMBL27813078 0.72 TSHR (0.40) TDP1TSHRLMNAACHESMN1; SMN2
SCHEMBL5917126 0.71 CA1 (0.47) TDP1GPR35TSHRLMNACA1
SCHEMBL260116 0.70 CRBN (0.45) TDP1GPR35LMNAACHEHSD17B10
Bromide SCHEMBL7268760 0.70 TDP1 (0.50) TDP1GPR35TSHRLMNAACHE
Ammonia Solution, Strong SCHEMBL27809956 0.70 TDP1 (0.50) TDP1GPR35TSHRLMNAACHE
SCHEMBL15243600 0.69 TDP1 (0.45) TDP1GPR35TSHRLMNAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 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 (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-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 TDP1 690/4885GPR35 352/4885TSHR 2007/4885

“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.