SCHEMBL20601979

SCHEMBL20601979

O=C1CCCc2c1[nH]c1cccc(Br)c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
HSD17B10 Q99714 3/20 0.64
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 2/20 0.52
MAPK1 P28482 1/20 0.52
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
FEN1 P39748 1/20 0.42
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
CCND1 P24385 1/20 0.40

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
SCHEMBL4156318 0.78 KDM4E (1.00) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL6070313 0.78 HSD17B10 (0.55) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL8004656 0.77 HTT (0.60) KDM4EMEN1KMT2AHPGDPARP1
SCHEMBL28874663 0.77 MAPT (0.47) KDM4EHSD17B10ALDH1A1MAPTFEN1
SCHEMBL8663645 0.76 HSD17B10 (0.38) KDM4EHSD17B10MEN1KMT2AFEN1
SCHEMBL29666273 0.75 HSD17B10 (1.00) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL4021839 0.75 HSD17B10 (1.00) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL13183576 0.74 HSD17B10 (0.62) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL31447943 0.72 SMN1; SMN2 (0.49) KDM4EHSD17B10ALDH1A1MAPTFEN1
SCHEMBL2359337 0.72 KDM4E (0.56) KDM4EHSD17B10MEN1KMT2AALDH1A1

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-11458121-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-10-04 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-05-21 US disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 WO disclosed
WO-2019005841-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2019-01-03 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-11458121-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC10A1, SLC47A1 KDM4E 4461/4885HSD17B10 1089/4885MEN1 3973/4885
US-20200155507-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 KDM4E 4461/4885HSD17B10 1089/4885MEN1 3973/4885

“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.