SCHEMBL7158982

SCHEMBL7158982

Nc1cccnc1Nc1ccc(CCNC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 6/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
AHR P35869 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
DHODH Q02127 4/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL7159020 0.83 NAMPT (0.49) CA12CA1CA2CA9MAPT
SCHEMBL7691144 0.81 NPC1 (0.49) CA12CA1CA2CA9MAPT
SCHEMBL7161060 0.81 MAPT (0.59) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL7161066 0.81 MAPT (0.59) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL7693917 0.79 HDAC1 (0.47)
SCHEMBL20603937 0.79 CA12 (0.60) CA12CA1CA2CA9MAPT
SCHEMBL7156921 0.79 MAPT (0.46) MAPTRAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL27638405 0.76 CA12 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL27451927 0.76 MAPT (0.53) CA12CA1CA2CA9MAPT
SCHEMBL7693197 0.76 NPC1 (0.53) MAPTRAB9ASMN1; SMN2NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6537994-B2 For therapy and prophylaxis of metabolic disorders related to insulin resistance or hyperglycemia, atherosclerosis, gastrointestinal disorders, neurogenetic inflammation, glaucoma, ocular hypertension and frequent urination WYETH 2003-03-25 US disclosed
US-20020022638-A1 Heterocyclic Beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-02-21 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-20020022638-A1 Heterocyclic Beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 CA12 4735/4885CA1 4855/4885CA2 2637/4885

“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.