SCHEMBL837706

SCHEMBL837706

Cc1ccc(Nc2cc(C)c3ccccc3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
MAPT P10636 6/20 0.74
LMNA P02545 4/20 0.74
KDM4E B2RXH2 4/20 0.74
RAB9A P51151 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
POLB P06746 2/20 0.62
KDM1A O60341 1/20 0.61
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
TP53 P04637 2/20 0.54
NPC1 O15118 2/20 0.54
GBA1 P04062 1/20 0.54
NPY5R Q15761 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.52
CYP1A2 P05177 1/20 0.51
SLC2A1 P11166 1/20 0.51

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
SCHEMBL837692 0.92 MEN1 (0.75) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL30917200 0.88 KMT2A (0.70) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL4817753 0.88 KDM4E (0.70) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL838429 0.88 KMT2A (0.70) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL837756 0.85 RAB9A (0.70) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL14420787 0.84 MEN1 (0.65) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL1702071 0.81 MEN1 (0.72) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL838095 0.80 MAPT (0.71) MEN1KMT2AMAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL13518268 0.80 MEN1 (0.70) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL11712509 0.79 KDM4E (0.65) MEN1KMT2AMAPTLMNAKDM4E

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
US-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed
US-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 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-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT MEN1 4634/4885KMT2A 4258/4885MAPT 4358/4885

“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.