SCHEMBL6416827

SCHEMBL6416827

O=C(CCl)CC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNF4 P78317 1/20 0.79
ALDH1A1 P00352 5/20 0.60
POLB P06746 3/20 0.60
HTT P42858 3/20 0.60
MITF O75030 2/20 0.60
MAPK1 P28482 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RECQL P46063 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56

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
SCHEMBL3382618 0.89 RNF4 (1.00) RNF4ALDH1A1POLBHTTMITF
SCHEMBL2000889 0.87 RNF4 (0.77) RNF4ALDH1A1POLBHTTMEN1
SCHEMBL5364516 0.85 HTT (0.59) RNF4ALDH1A1POLBHTTMITF
SCHEMBL10617946 0.83 NPC1 (0.57) RNF4ALDH1A1POLBHTTMITF
SCHEMBL20942365 0.83 RNF4 (0.71) RNF4ALDH1A1POLBHTTMEN1
SCHEMBL11806908 0.81 RNF4 (0.86) RNF4ALDH1A1POLBHTTMITF
SCHEMBL6411466 0.81 L3MBTL1 (0.63) ALDH1A1HTTMAPK1MEN1KMT2A
SCHEMBL23323205 0.79 POLB (0.68) RNF4ALDH1A1POLBHTTMEN1
SCHEMBL20941574 0.79 MEN1 (0.68) RNF4ALDH1A1POLBHTTMEN1
SCHEMBL20942366 0.79 RNF4 (0.67) RNF4ALDH1A1POLBHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998989-B2 2-Imino-1,3-thiazoline-based compounds and T-type calcium channel inhibitors containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-08-16 US disclosed
US-7998989-B2 2-Imino-1,3-thiazoline-based compounds and T-type calcium channel inhibitors containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-08-16 US disclosed
US-20080293786-A1 NOVEL 2-IMINO-1,3-THIAZOLINE-BASED COMPOUNDS AND T-TYPE CALCIUM CHANNEL INHIBITORS CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-11-27 US disclosed
US-20080293786-A1 NOVEL 2-IMINO-1,3-THIAZOLINE-BASED COMPOUNDS AND T-TYPE CALCIUM CHANNEL INHIBITORS CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-11-27 US disclosed
US-6921770-B2 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2005-07-26 US disclosed
EP-1311160-A4 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INST SCI & TECH (KR) 2004-04-21 EP disclosed
US-20030203950-A1 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-10-30 US disclosed
EP-1311160-A1 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-05-21 EP disclosed
WO-2002013611-A1 2-PHENYLIMINOTHIAZOLINES, THEIR PREPARATION METHOD AND ANTI-RICE BLAST AGENT CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-02-21 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 (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-20030203950-A1 2-Phenyliminothiazolines, their preparation method and anti-rice blast agent containing the same TYR, SYPL1, SSBP1 RNF4 4775/4885ALDH1A1 4656/4885POLB 2313/4885
US-20080293786-A1 NOVEL 2-IMINO-1,3-THIAZOLINE-BASED COMPOUNDS AND T-TYPE CALCIUM CHANNEL INHIBITORS CONTAINING THE SAME CACNA1I, CACNA1H, CACNA1G RNF4 4517/4885ALDH1A1 2247/4885POLB 4790/4885

“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.