SCHEMBL14925344

SCHEMBL14925344

CC(C)CC1c2[nH]c3ccc(Cl)cc3c2CCN1C(=O)OCCN1CCC(F)(F)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
SIRT1 Q96EB6 2/20 0.45
KIF11 P52732 11/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 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
SCHEMBL14925348 0.95 ABCB1 (0.45) ABCB1ABCG2SIRT1KIF11KDM4E
SCHEMBL14932676 0.95 ABCB1 (0.45) ABCB1ABCG2SIRT1KIF11KDM4E
SCHEMBL14925365 0.93 ABCB1 (0.47) ABCB1ABCG2SIRT1KIF11KDM4E
SCHEMBL14925357 0.91 KDM4E (0.47) ABCB1ABCG2SIRT1KIF11KDM4E
SCHEMBL14925352 0.89 ABCB1 (0.47) ABCB1ABCG2SIRT1KIF11KDM4E
SCHEMBL14925360 0.89 ABCB1 (0.45) ABCB1ABCG2SIRT1KIF11KDM4E
SCHEMBL14925351 0.89 ABCB1 (0.45) ABCB1ABCG2SIRT1KIF11KDM4E
SCHEMBL14925379 0.88 ABCB1 (0.45) ABCB1ABCG2SIRT1KIF11KDM4E
SCHEMBL14916895 0.88 KDM4E (0.53) ABCB1ABCG2SIRT1KIF11KDM4E
SCHEMBL14916896 0.88 KDM4E (0.53) ABCB1ABCG2SIRT1KIF11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013067409-A1 ANTIMICROBIAL CARBOLINE COMPOUNDS ALCON RESEARCH, LTD. (US) 2013-05-10 WO disclosed
US-20130116219-A1 ANTIMICROBIAL CARBOLINE COMPOUNDS ALCON RESEARCH, LTD. (US) 2013-05-09 US disclosed
US-20130116219-A1 ANTIMICROBIAL CARBOLINE COMPOUNDS ALCON RESEARCH, LTD. (US) 2013-05-09 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 (1 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-20130116219-A1 ANTIMICROBIAL CARBOLINE COMPOUNDS MAVS, OPA1, ZC3HAV1 ABCB1 1395/4885ABCG2 3867/4885SIRT1 246/4885

“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.