SCHEMBL16440985

SCHEMBL16440985

CC(=O)c1cc2cc(Br)ccc2n1C

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.76
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10084914 0.86 MCL1 (0.57) MCL1
SCHEMBL418126 0.86 MCL1 (1.00) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3534182 0.85 MCL1 (0.73) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10084917 0.82 MCL1 (0.69) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL31435640 0.82 MCL1 (0.69) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1096760 0.82 L3MBTL1 (0.70) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15219890 0.81 MCL1 (0.55) MCL1
SCHEMBL10084910 0.81 CLK1 (0.63) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18554862 0.80 MCL1 (0.54) MCL1
SCHEMBL2732524 0.79 KDM4E (0.76) MCL1KDM4EALDH1A1HPGDHSD17B10

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
US-11845742-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-12-19 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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 (3 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-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 MCL1 596/4885KDM4E 4720/4885ALDH1A1 1099/4885
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP MCL1 305/4885KDM4E 4305/4885ALDH1A1 3792/4885
US-11845742-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC47A1, SLC47A2 MCL1 596/4885KDM4E 4720/4885ALDH1A1 1099/4885

“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.