SCHEMBL6380441

SCHEMBL6380441

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
KMT2A Q03164 5/20 0.55
EPHX1 P07099 3/20 0.55
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
MEN1 O00255 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
CNR1 P21554 1/20 0.47
GAA P10253 1/20 0.46
SLC6A3 Q01959 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL6380819 0.86 EPHX1 (0.67) KMT2AEPHX1RAB9ANPC1MEN1
SCHEMBL6382778 0.84 TSHR (0.62) TSHRKMT2AEPHX1RAB9ANPC1
SCHEMBL4638157 0.83 TSHR (0.51) TSHRKMT2ARAB9ANPC1MEN1
SCHEMBL6789874 0.83 EPHX1 (0.49) KMT2AEPHX1MEN1SMN1; SMN2MAPT
SCHEMBL6790368 0.83 EPHX1 (0.49) KMT2AEPHX1MEN1SMN1; SMN2MAPT
SCHEMBL5726563 0.82 EPHX1 (0.53) TSHREPHX1NFKB1CNR1SLC6A3
SCHEMBL5727321 0.82 EPHX1 (0.53) TSHREPHX1NFKB1CNR1SLC6A3
SCHEMBL5727545 0.82 EPHX1 (0.53) TSHREPHX1NFKB1CNR1SLC6A3
SCHEMBL6789868 0.80 EPHX1 (0.49) KMT2AEPHX1RAB9AMEN1SMN1; SMN2
SCHEMBL6790366 0.80 EPHX1 (0.49) KMT2AEPHX1RAB9AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5750547-A Certain carbanate anti-cancer agents UNIVERSITE LAVAL (CA) 1998-05-12 US 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 TSHR 3261/4885KMT2A 4402/4885EPHX1 3468/4885
US-20020115722-A1 SS tubulin inhibitors TUBB1, TUBB, TUBB3 TSHR 2930/4885KMT2A 4264/4885EPHX1 3357/4885

“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.