SCHEMBL7686611

SCHEMBL7686611

CC(=O)NCc1ccc(N=C=S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ P2RY6 Q15077 2/20 0.52
▸ HDAC1 Q13547 4/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.44
▸ HDAC3 O15379 3/20 0.43
▸ HDAC2 Q92769 3/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ TPSAB1 Q15661 2/20 0.41
▸ PRSS1 P07477 1/20 0.41

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
SCHEMBL12252425 0.85 KMT2A (0.54) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL6432262 0.84 P2RY6 (0.50) KMT2AP2RY6HDAC1HDAC6MAPT
SCHEMBL14579478 0.84 KDM4E (0.58) P2RY6HDAC1HDAC6MAPTALDH1A1
SCHEMBL8575469 0.83 P2RY6 (0.47) KMT2AP2RY6HSD17B10TPSAB1PRSS1
SCHEMBL12133623 0.80 KMT2A (0.76) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL8603312 0.80 P2RY6 (0.47) KMT2AP2RY6HSD17B10TPSAB1PRSS1
SCHEMBL343680 0.79 GAA (0.49) P2RY6HDAC1HDAC6MAPTRAB9A
SCHEMBL16190422 0.79 KMT2A (0.59) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL8575681 0.78 MCL1 (0.60) P2RY6HSD17B10TPSAB1PRSS1CHRM1
SCHEMBL8578080 0.78 P2RY6 (0.42) KMT2AP2RY6ALDH1A1RAB9AHSD17B10

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-11649253-B2 Terbium and dysprosium complexes with optimised antenna, used as luminescent markers ECOLE NORMALE SUPERIEURE DE LYON (FR) 2023-05-16 — — US disclosed
US-9920082-B2 Water-soluble complexing agents and corresponding lanthanide complexes CISBO BIOASSAYS (FR) 2018-03-20 — — US disclosed
US-9296762-B2 Complexing agents and corresponding lanthanide complexes CISBIO BIOASSAYS (FR) 2016-03-29 — — US disclosed
US-20160031910-A1 LANTHANIDE COMPLEXES COMPRISING AT LEAST TWO BETAINE GROUPS, WHICH CAN BE USED AS LUMINESCENT MARKERS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2016-02-04 — — US disclosed
US-20150361116-A1 NOVEL WATER-SOLUBLE COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2015-12-17 — — US disclosed
US-9024022-B2 Substrates of O6-alkylguanine-DNA alkyltransferase and mutants thereof CIS BIO INTERNATIONAL (FR) 2015-05-05 — — US disclosed
US-20140336373-A1 NOVEL COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES CISBIO BIOASSAYS (FR) 2014-11-13 — — US disclosed
US-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF CIS BIO INTERNATIONAL (FR) 2011-09-29 — — US disclosed
US-20020028469-A1 Method of defining genus of chemical compound and method of designing molecules BURCH RONALD M (US) 2002-03-07 — — 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 (5 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-20110236952-A1 NOVEL SUBSTRATES OF O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE AND MUTANTS THEREOF OGG1, UNG, MPG KMT2A 707/4885P2RY6 3755/4885HDAC1 1945/4885
US-20150361116-A1 NOVEL WATER-SOLUBLE COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES RCC1, CLIC1, RCC2 KMT2A 3944/4885P2RY6 4304/4885HDAC1 2380/4885
US-11649253-B2 Terbium and dysprosium complexes with optimised antenna, used as luminescent markers SSB, TACR3, MAL2 KMT2A 4741/4885P2RY6 3453/4885HDAC1 3079/4885
US-20160031910-A1 LANTHANIDE COMPLEXES COMPRISING AT LEAST TWO BETAINE GROUPS, WHICH CAN BE USED AS LUMINESCENT MARKERS SLC6A12, LGALS3, LBR KMT2A 4325/4885P2RY6 2895/4885HDAC1 3184/4885
US-20140336373-A1 NOVEL COMPLEXING AGENTS AND CORRESPONDING LANTHANIDE COMPLEXES RCC1, RCC2, C1R KMT2A 3629/4885P2RY6 3667/4885HDAC1 666/4885

“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.

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