SCHEMBL1282901

SCHEMBL1282901

CCCC1(C(=O)O)CCN(c2ncc(-c3cc(-c4cnccn4)c4sc(NC(=O)NCC)nc4c3)cn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.36
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
TESK1 Q15569 1/20 0.35
TESK2 Q96S53 1/20 0.35

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
SCHEMBL1283824 0.94 ABL1 (0.37) ABL1LIMK1LIMK2TESK1TESK2
SCHEMBL1282284 0.91 ABL1 (0.35) ABL1
SCHEMBL1282561 0.91 ABL1 (0.39) ABL1
SCHEMBL1283585 0.90 ABL1 (0.38) ABL1
SCHEMBL1282472 0.88 ABL1 (0.39) ABL1LIMK1LIMK2TESK1TESK2
SCHEMBL1283105 0.88 ABL1 (0.33) ABL1
SCHEMBL1282586 0.86 ABL1 (0.35) ABL1
SCHEMBL1282710 0.86 ABL1 (0.35) ABL1
SCHEMBL1282380 0.86 ABL1 (0.37) ABL1
SCHEMBL1283181 0.85 ABL1 (0.34) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US claimed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS ABL1 537/4885LIMK1 4052/4885LIMK2 4366/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885LIMK1 3653/4885LIMK2 3786/4885

“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.