SCHEMBL4900007

SCHEMBL4900007

Cc1ccc2c(n1)sc1c(NCCCN3CCOCC3)nnnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 5/20 0.46
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 5/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
RAD52 P43351 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.42

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 0.72 ALDH1A1 (0.47) KDM4EALDH1A1KMT2ANPSR1HPGD
SCHEMBL7238360 0.65 KDM4E (0.62) KDM4EALDH1A1KMT2ANPSR1TDP1
SCHEMBL23378428 0.65 ALDH1A1 (0.70) KDM4EALDH1A1KMT2ANPSR1HPGD
SCHEMBL4895941 0.64 MAPT (0.64) KDM4EALDH1A1KMT2ANPSR1HPGD
SCHEMBL11479625 0.64 MAPT (0.49) KDM4EALDH1A1KMT2ANPSR1HPGD
SCHEMBL4898995 0.64 MAPT (0.39) KDM4EALDH1A1KMT2ANPSR1TDP1
SCHEMBL6502932 0.64 KDM4E (0.51) KDM4EALDH1A1KMT2ANPSR1TDP1
SCHEMBL29792881 0.64 KDM4E (0.54) KDM4EALDH1A1KMT2ANPSR1MAPK1
Hydrochloric Acid SCHEMBL6075117 0.63 KDM4E (0.51) KDM4EALDH1A1KMT2ANPSR1TDP1
SCHEMBL22640091 0.63 IDO1 (0.66) KDM4EALDH1A1KMT2ANPSR1TDP1

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 KDM4E 3715/4885ALDH1A1 270/4885KMT2A 4239/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 KDM4E 3715/4885ALDH1A1 270/4885KMT2A 4239/4885

“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.