SCHEMBL9999674

SCHEMBL9999674

CC=Cc1ccc(-c2ccc(NC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 15/20 0.59
KCNH2 Q12809 2/20 0.47
KIF11 P52732 1/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAT2A P31153 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
SCHEMBL9999669 0.93 APP (0.67) APPKCNH2LMNATP53CYP3A4
SCHEMBL22880747 0.93 APP (0.67) APPKCNH2LMNATP53CYP3A4
SCHEMBL9679312 0.89 APP (0.68) APPKCNH2KIF11MAT2A
SCHEMBL29982274 0.83 CYP3A4 (0.56) LMNATP53CYP3A4TSHRKDM4E
SCHEMBL10270322 0.82 APP (0.53) APPKCNH2LMNATP53CYP3A4
SCHEMBL9680312 0.81 APP (0.77) APPKCNH2TSHRMAT2A
SCHEMBL19003408 0.81 APP (0.77) APPKCNH2TSHRMAT2A
SCHEMBL9678907 0.81 APP (0.77) APPKCNH2TSHRMAT2A
SCHEMBL900823 0.81 APP (0.77) APPKCNH2TSHRMAT2A
SCHEMBL5147226 0.78 KIF11 (0.64) APPKIF11TP53CYP3A4TSHR

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-9534009-B2 Pan-selectin inhibitor with enhanced pharmacokinetic activity GLYCOMIMETICS, INC. (US) 2017-01-03 US disclosed
US-20150051164-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY GLYCOMIMETICS INC (US) 2015-02-19 US disclosed
US-8895510-B2 Pan-selectin inhibitor with enhanced pharmacokinetic activity GLYCOMIMETICS, INC. (US) 2014-11-25 US disclosed
US-8361975-B2 Compounds and methods for treatment of sickle cell or complications associated therewith GLYCOMIMETICS, INC. (US) 2013-01-29 US disclosed
US-20120015898-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SICKLE CELL DISEASE OR COMPLICATIONS ASSOCIATED THEREWITH GLYCOMIMETICS, INC. (US) 2012-01-19 US disclosed
US-8039442-B2 Compounds and methods for treatment of sickle cell disease or complications associated therewith GLYCOMIMETICS, INC. (US) 2011-10-18 US disclosed
US-20090253646-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY GLYCOMIMETICS, INC. (US) 2009-10-08 US disclosed
US-20090023679-A1 Compounds and methods for treatment of sickle cell disease or complications associated therewith GLYCOMIMETICS, INC. (US) 2009-01-22 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 (4 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-20090253646-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY SELPLG, SELP, SELE APP 3683/4885KCNH2 4407/4885KIF11 4679/4885
US-20120015898-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SICKLE CELL DISEASE OR COMPLICATIONS ASSOCIATED THEREWITH HBG1, HBG2, SORD APP 4508/4885KCNH2 2668/4885KIF11 4365/4885
US-20150051164-A1 PAN-SELECTIN INHIBITOR WITH ENHANCED PHARMACOKINETIC ACTIVITY SELPLG, SELP, SELE APP 3683/4885KCNH2 4407/4885KIF11 4679/4885
US-20090023679-A1 Compounds and methods for treatment of sickle cell disease or complications associated therewith HBG1, HBG2, SORD APP 4508/4885KCNH2 2668/4885KIF11 4365/4885

“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.