SCHEMBL3287690

SCHEMBL3287690

N=C(N)Nc1ccc(C(=O)N2CCc3ccc(C(=O)O)cc3C2C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F11 P03951 11/20 0.43
TRPM8 Q7Z2W7 1/20 0.40
TMPRSS2 O15393 4/20 0.38
KLKB1 P03952 3/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
NAMPT P43490 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
SCHEMBL3282219 0.81 ALDH1A1 (0.43)
SCHEMBL16303966 0.73 ACE (0.50) F11
SCHEMBL14861291 0.72 F11 (0.59) F11TRPM8KLKB1
SCHEMBL14874042 0.72 F11 (0.59) F11TRPM8KLKB1
SCHEMBL3281411 0.71 PARP1 (0.43) TRPM8
4-Guanidino-Benzoic Acid SCHEMBL211005 0.70 F2 (0.57)
4-Guanidino-Benzoic Acid SCHEMBL11123754 0.69 F2 (0.55)
4-Guanidino-Benzoic Acid SCHEMBL22127093 0.69 F2 (0.55)
4-Guanidino-Benzoic Acid SCHEMBL273175 0.69 F2 (0.55)
4-Guanidino-Benzoic Acid SCHEMBL10674543 0.69 F2 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US claimed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 US claimed
WO-2005108367-A1 COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES ENVIVO PHARMACEUTICALS, INC. (US) 2005-11-17 WO claimed
US-7705017-B2 Compounds for treatment of neurodegenerative diseases EN VIVO PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20060004041-A1 Compounds for treatment of neurodegenerative diseases ENVIVO PHARMACEUTICALS, INC. 2006-01-05 US disclosed
WO-2005108367-A1 COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISEASES ENVIVO PHARMACEUTICALS, INC. (US) 2005-11-17 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 (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-20060004041-A1 Compounds for treatment of neurodegenerative diseases HDAC5, HDAC6, HDAC3 F11 3930/4885TRPM8 3151/4885TMPRSS2 2641/4885

“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.