SCHEMBL14916888

SCHEMBL14916888

CC(C)CC1c2[nH]c3ccc(Cl)cc3c2CCN1C(=O)CN1CCC(F)(F)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ABCB1 P08183 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
SIRT1 Q96EB6 2/20 0.48
KIF11 P52732 12/20 0.46
MAPT P10636 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL14916887 1.00 KDM4E (0.50) KDM4EABCB1ABCG2SIRT1KIF11
SCHEMBL14925446 0.95 KDM4E (0.49) KDM4EABCB1ABCG2SIRT1KIF11
SCHEMBL14916866 0.92 KDM4E (0.51) KDM4EABCB1ABCG2SIRT1KIF11
SCHEMBL14916896 0.91 KDM4E (0.53) KDM4EABCB1ABCG2SIRT1KIF11
SCHEMBL14916895 0.91 KDM4E (0.53) KDM4EABCB1ABCG2SIRT1KIF11
SCHEMBL14925340 0.90 KDM4E (0.51) KDM4EABCB1ABCG2SIRT1KIF11
SCHEMBL14925406 0.89 KDM4E (0.55) KDM4EABCB1ABCG2SIRT1KIF11
SCHEMBL14925382 0.89 KDM4E (0.51) KDM4EABCB1ABCG2SIRT1KIF11
SCHEMBL14925373 0.88 ABCB1 (0.49) KDM4EABCB1ABCG2SIRT1KIF11
SCHEMBL14925341 0.88 KDM4E (0.51) KDM4EABCB1ABCG2SIRT1KIF11

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 4 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
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 KDM4E 2855/4885ABCB1 1395/4885ABCG2 3867/4885

“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.