SCHEMBL347102

SCHEMBL347102

O=C(Nc1ccc(C(=O)N2CCN(Cc3ccc(C(=O)NC4CCC4)o3)CC2)cc1F)NC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PRKAA2 P54646 6/20 0.42
PRKAB2 O43741 3/20 0.42
PRKAG1 P54619 3/20 0.42
PRKAA1 Q13131 3/20 0.42
PRKAG3 Q9UGI9 3/20 0.42
PRKAG2 Q9UGJ0 3/20 0.42
PRKAB1 Q9Y478 3/20 0.42
EPHX2 P34913 1/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL15310312 0.93 EPHX2 (0.44) NPC1RAB9APOLBL3MBTL1ALDH1A1
SCHEMBL348234 0.92 L3MBTL1 (0.42) NPC1RAB9APOLBL3MBTL1ALDH1A1
SCHEMBL348833 0.91 HRH3 (0.40) POLBL3MBTL1PRKAA2PRKAB2PRKAG1
SCHEMBL368037 0.84 EPHX2 (0.41) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15310310 0.83 NPC1 (0.44) NPC1RAB9APOLBL3MBTL1PRKAA2
SCHEMBL348091 0.82 PDK1 (0.42) NPC1RAB9APRKAA2PRKAB2PRKAG1
SCHEMBL347867 0.79 TP53 (0.43) EPHX2KMT2A
SCHEMBL346659 0.79 NPC1 (0.56) NPC1RAB9APOLBL3MBTL1ALDH1A1
SCHEMBL348149 0.78 EPHX2 (0.45) EPHX2KMT2A
SCHEMBL348005 0.78 EPHX2 (0.40) L3MBTL1ALDH1A1PRKAA2PRKAB2PRKAG1

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-8759352-B2 1-(4-ureidobenzoyl)piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2014-06-24 US disclosed
US-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2012-01-19 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-20120015958-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES NPC1, ABCB11, NPC1L1 NPC1 1/4885RAB9A 1970/4885POLB 1695/4885

“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.