SCHEMBL1044813

SCHEMBL1044813

N#Cc1nc2cc(F)c(OCCCCCCNC(=O)O)cc2s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.35
▸ ILK Q13418 3/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ F2RL3 Q96RI0 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ TTR P02766 1/20 0.30
▸ ALB P02768 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL1078635 0.83 ILK (0.33) ACACBILKCACNA1B
SCHEMBL15080296 0.82 ILK (0.36) ACACBILKMAPTRAB9AALDH1A1
SCHEMBL12617487 0.82 SCN9A (0.41) ACACB
SCHEMBL12617493 0.81 CACNA1B (0.36) ACACBILKCACNA1B
SCHEMBL12617515 0.80 SLC6A4 (0.35) ACACBILKALDH1A1KDM4E
SCHEMBL20691501 0.79 ACACB (0.35) ACACBILKALDH1A1HPGDKDM4E
SCHEMBL19410334 0.76 LMNA (0.45) MEN1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL12617699 0.74 ACACB (0.36) ACACBILKMAPTALDH1A1CACNA1B
SCHEMBL25338089 0.72 LMNA (0.46) MEN1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL1043362 0.71 ALDH1A1 (0.36) MEN1MAPTRAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932365-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2018-04-03 — — US disclosed
US-20170283456-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-10-05 — — US disclosed
US-9689868-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2017-06-27 — — US disclosed
EP-2626703-B1 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORP (US) 2017-05-03 — — EP disclosed
EP-3141905-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES Promega Corporation (US) 2017-03-15 — — EP disclosed
US-20170016888-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-01-19 — — US disclosed
EP-2269064-B1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORP (US) 2016-11-30 — — EP disclosed
US-9459249-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2016-10-04 — — US disclosed
EP-2626703-A1 Protein labeling with cyanobenzothiazole conjugates Promega Corporation (US) 2013-08-14 — — EP disclosed
EP-2269064-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES Promega Corporation (US) 2011-01-05 — — EP disclosed
WO-2009142678-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORPORATIN (US) 2009-11-26 — — WO disclosed
US-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2009-10-22 — — 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-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates QPCTL, BCAT1, QPCT ACACB 1244/4885ILK 1698/4885MEN1 3244/4885
US-20170283456-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES QPCTL, BCAT1, QPCT ACACB 1244/4885ILK 1698/4885MEN1 3244/4885

“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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