SCHEMBL4898995

SCHEMBL4898995

COC(=O)NNc1nnnc2c1sc1nc(C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IKBKB O14920 1/20 0.37
LIMK1 P53667 1/20 0.37
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
USP25 Q9UHP3 8/20 0.32
USP28 Q96RU2 7/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL4899262 0.79 ALDH1A1 (0.47) MAPTALDH1A1NPC1KDM4EHPGD
SCHEMBL11479394 0.77 ALDH1A1 (0.49) MAPTALDH1A1NPC1KDM4EHPGD
SCHEMBL11475899 0.73 MAPT (0.49) MAPTALDH1A1NPC1KDM4EHPGD
SCHEMBL11477655 0.70 MAPT (0.49) MAPTALDH1A1NPC1KDM4EHPGD
SCHEMBL4895941 0.70 MAPT (0.64) MAPTALDH1A1NPC1KDM4EHPGD
SCHEMBL11479625 0.70 MAPT (0.49) MAPTALDH1A1NPC1KDM4EHPGD
SCHEMBL11099767 0.70 MAPT (0.41) MAPTALDH1A1NPC1KDM4EHPGD
SCHEMBL11482442 0.69 MAPT (0.48) MAPTALDH1A1NPC1KDM4EHPGD
SCHEMBL11098038 0.66 MAPT (0.48) MAPTALDH1A1NPC1KDM4EHPGD
SCHEMBL11097429 0.65 MAPT (0.44) MAPTALDH1A1NPC1KDM4EHPGD

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-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 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-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 MAPT 4573/4885ALDH1A1 270/4885NPC1 2575/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 MAPT 4573/4885ALDH1A1 270/4885NPC1 2575/4885

“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.