SCHEMBL6380819

SCHEMBL6380819

CC(C)c1ccc(NC(=O)NCCCl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.67
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
EPHX2 P34913 2/20 0.56
CNR1 P21554 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.54
NPC1 O15118 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CASR P41180 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL5727321 0.86 EPHX1 (0.53) EPHX1TAS1R3TAS1R1EPHX2CNR1
SCHEMBL5726563 0.86 EPHX1 (0.53) EPHX1TAS1R3TAS1R1EPHX2CNR1
SCHEMBL5727545 0.86 EPHX1 (0.53) EPHX1TAS1R3TAS1R1EPHX2CNR1
SCHEMBL6380441 0.86 TSHR (0.56) EPHX1TAS1R3TAS1R1CNR1MEN1
SCHEMBL6790366 0.84 EPHX1 (0.49) EPHX1TAS1R3TAS1R1CNR1MEN1
SCHEMBL5767286 0.84 EPHX1 (0.49) EPHX1TAS1R3TAS1R1CNR1MEN1
SCHEMBL6789868 0.84 EPHX1 (0.49) EPHX1TAS1R3TAS1R1CNR1MEN1
SCHEMBL10939812 0.83 CNR1 (0.70) CNR1RAB9ANPC1CASRSMN1; SMN2
SCHEMBL4638759 0.82 EGFR (0.47) EPHX1TAS1R3TAS1R1EPHX2MEN1
SCHEMBL30797082 0.82 MEN1 (0.54) EPHX1MEN1KMT2ACA2CASR

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
WO-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
US-20050250853-A1 Beta-tubulin inhibitors GAUDREAULT RENE C 2005-11-10 US disclosed
WO-2004106291-A1 HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION IMOTEP INC. (CA) 2004-12-09 WO disclosed
US-20020115722-A1 SS tubulin inhibitors SOVAR, SOCIETE EN COMMANDITE (CA) 2002-08-22 US disclosed
WO-2001047504-A2 β-TUBELIN INHIBITORS AND THEIR USE AGAINST CANCER UNIVERSITé LAVAL (CA) 2001-07-05 WO disclosed
US-5530026-A WITHOUT SYSTEMIC TOXICITY AND MUTAGENICITY UNIVERSITE LAVAL (CA) 1996-06-25 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 (2 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-20050250853-A1 Beta-tubulin inhibitors TUBB, TUBB1, TUBB3 EPHX1 3468/4885TAS1R3 3818/4885TAS1R1 3681/4885
US-20020115722-A1 SS tubulin inhibitors TUBB1, TUBB, TUBB3 EPHX1 3357/4885TAS1R3 2895/4885TAS1R1 2481/4885

“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.