SCHEMBL4899262

SCHEMBL4899262

CNc1nnnc2c1sc1nc(C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.47
USP2 O75604 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IKBKB O14920 1/20 0.35
LIMK1 P53667 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 1/20 0.32
CHRM4 P08173 6/20 0.31
USP28 Q96RU2 2/20 0.31
USP25 Q9UHP3 2/20 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
SCHEMBL11479394 0.87 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL11482442 0.81 MAPT (0.48) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL4895941 0.79 MAPT (0.64) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL11475899 0.79 MAPT (0.49) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL11477655 0.79 MAPT (0.49) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL11479625 0.79 MAPT (0.49) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL4898995 0.79 MAPT (0.39) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL4903231 0.77 CLK1 (0.49) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL4900007 0.72 KDM4E (0.46) ALDH1A1MAPTKDM4EHPGDNPC1
SCHEMBL11098038 0.69 MAPT (0.48) ALDH1A1MAPTKDM4EHPGDNPC1

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-4239887-A ANTIALLERGENS USV PHARMACEUTICAL CORPORATION (US) 1980-12-16 US claimed
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
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US disclosed
US-4239887-A ANTIALLERGENS USV PHARMACEUTICAL CORPORATION (US) 1980-12-16 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 (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 ALDH1A1 270/4885MAPT 4573/4885KDM4E 3715/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 ALDH1A1 270/4885MAPT 4573/4885KDM4E 3715/4885

“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.