SCHEMBL6542174

SCHEMBL6542174

CC(C)(CN(CC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
RECQL P46063 1/20 0.36
AKT1 P31749 1/20 0.36
RIPK1 Q13546 2/20 0.35

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
SCHEMBL4471691 0.75 NPC1 (0.50) KDM4EKMT2ANPC1RAB9ACA12
SCHEMBL11631206 0.72 MEN1 (0.50) KDM4ETDP1MEN1KMT2ANPC1
SCHEMBL6634196 0.72 DPP7 (0.41) TDP1MEN1KMT2AHDAC3HDAC1
SCHEMBL6541368 0.70 ADRB2 (0.38) TDP1MEN1KMT2AHDAC3HDAC1
SCHEMBL19060634 0.68 PPID (0.45) NPC1RAB9AAKT1RIPK1
Hydrochloric Acid SCHEMBL19031397 0.68 PPID (0.44) NPC1RAB9AAKT1RIPK1
SCHEMBL29036558 0.67 KMT2A (0.50) TDP1MEN1KMT2ANPC1RAB9A
SCHEMBL5948337 0.66 CYP3A4 (0.67) NPC1RAB9ARECQLRIPK1
SCHEMBL2015197 0.66 RIPK1 (0.44) MEN1KMT2ANPC1RAB9ACA12
Bromide SCHEMBL10777741 0.64 RECQL (0.47) KDM4EMEN1KMT2ANPC1RAB9A

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-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 KDM4E 3697/4885ATM 3962/4885TDP1 3965/4885

“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.