SCHEMBL4569792

SCHEMBL4569792

CCC(=O)c1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
CYP3A4 P08684 3/20 0.50
LMNA P02545 3/20 0.50
CYP1A2 P05177 3/20 0.50
MAOA P21397 1/20 0.50
HPGD P15428 1/20 0.48
CYP19A1 P11511 2/20 0.48
ALDH1A1 P00352 4/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PGR P06401 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL221282 0.94 MAPT (0.57) MAPTSMN1; SMN2L3MBTL1CYP3A4LMNA
Butane SCHEMBL11694245 0.89 MAPT (0.53) MAPTSMN1; SMN2L3MBTL1CYP3A4LMNA
SCHEMBL10389933 0.89 SMN1; SMN2 (0.83) MAPTSMN1; SMN2L3MBTL1LMNACYP1A2
SCHEMBL8413590 0.82 MAPT (0.56) MAPTSMN1; SMN2L3MBTL1LMNAHPGD
SCHEMBL8051337 0.82 SMN1; SMN2 (0.70) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL13267783 0.81 MAPT (1.00) MAPTSMN1; SMN2L3MBTL1LMNACYP1A2
SCHEMBL2633141 0.81 SMN1; SMN2 (0.70) MAPTSMN1; SMN2L3MBTL1LMNAHPGD
SCHEMBL15085369 0.81 SMN1; SMN2 (0.77) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL1928026 0.81 MAPT (1.00) MAPTSMN1; SMN2L3MBTL1LMNACYP1A2
SCHEMBL28427073 0.81 MAPT (0.70) MAPTSMN1; SMN2L3MBTL1LMNAHPGD

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-8227606-B2 Arginine derivatives with NP-1 antagonistic activity ARK THERAPEUTICS, LTD. (GB) 2012-07-24 US disclosed
US-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY GB06/019611.7 THERAPIES LIMITED (GB) 2012-05-17 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-20120122862-A1 ARGININE DERIVATIVES WITH NP-I ANTAGONISTIC ACTIVITY NPFFR1, NPR1, ARG1 MAPT 4118/4885SMN1; SMN2 3003/4885L3MBTL1 3182/4885

“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.