SCHEMBL837757

SCHEMBL837757

COc1ccc(Nc2cc(C)c3ccccc3n2)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.67
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
KDM4E B2RXH2 4/20 0.67
RAB9A P51151 3/20 0.67
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
POLB P06746 2/20 0.64
NPC1 O15118 2/20 0.61
GAA P10253 2/20 0.52
G6PD P11413 1/20 0.52
MCL1 Q07820 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
PKM P14618 1/20 0.48
KDR P35968 2/20 0.47
PLK1 P53350 1/20 0.47
PTK2 Q05397 1/20 0.47
AURKB Q96GD4 1/20 0.47
RET P07949 1/20 0.47

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
SCHEMBL838095 0.88 MAPT (0.71) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL10110706 0.85 MAPT (0.67) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL29126710 0.80 ABCG2 (0.61) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL837692 0.78 MEN1 (0.75) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL838120 0.77 MEN1 (0.79) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL837706 0.77 MEN1 (0.74) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL4859258 0.76 ABCG2 (0.80) KMT2AMEN1GAAABCG2
SCHEMBL3225187 0.75 MEN1 (0.54) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL4817753 0.74 KDM4E (0.70) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL30917200 0.74 KMT2A (0.70) MAPTKMT2AMEN1KDM4ERAB9A

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 MAPT 4358/4885KMT2A 4258/4885MEN1 4634/4885

“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.