SCHEMBL6688374

SCHEMBL6688374

O=C(NCCCl)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
DEGS1 O15121 1/20 0.51
MITF O75030 1/20 0.51
KLF5 Q13887 1/20 0.51
EPHX2 P34913 3/20 0.51
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 3/20 0.48
USP2 O75604 1/20 0.48
EPHX1 P07099 3/20 0.47
JAK3 P52333 1/20 0.46
ATM Q13315 1/20 0.46
RORC P51449 1/20 0.45
RAB9A P51151 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL23453341 0.86 KMT2A (0.54) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL11356835 0.83 HDAC8 (0.64) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL30797302 0.83 CNR1 (0.44) MITFEPHX2NPC1JAK3RAB9A
SCHEMBL3824110 0.82 MITF (0.63) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL30797103 0.81 CNR1 (0.43) MITFEPHX2ALDH1A1HPGDNPC1
SCHEMBL14113721 0.81 NPC1 (0.61) EPHX2ALDH1A1NPC1EPHX1JAK3
SCHEMBL23406287 0.81 EPHX1 (0.71) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL20589978 0.81 EPHX1 (0.71) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL23406306 0.81 EPHX1 (0.67) HDAC3HDAC11HDAC8HDAC6DEGS1
SCHEMBL20588941 0.80 EPHX1 (0.69) HDAC3HDAC11HDAC8HDAC6DEGS1

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
WO-2022177121-A1 PROHIBITIN COMPANION DIAGNOSTIC COMPOSITION FOR LEUKEMIA TARGETED TREATMENT 전남대학교산학협력단 2022-08-25 WO disclosed
US-20210163404-A1 NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES UNIVERSITé LAVAL (CA) 2021-06-03 US disclosed
WO-2018227300-A1 NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES UNIVERSITé LAVAL (CA) 2018-12-20 WO 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
WO-2004106292-A1 HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH IMOTEP INC. (CA) 2004-12-09 WO 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-20210163404-A1 NOVEL UREA COMPOUNDS AND BIOISOSTERES THEREOF AND THEIR USE FOR TREATING INFLAMMATION AND INFLAMMATION-RELATED PATHOLOGIES NOS3, NOS2, CBS HDAC3 2712/4885HDAC11 2707/4885HDAC8 3155/4885

“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.