SCHEMBL366864

SCHEMBL366864

NC(=O)c1c(CC=CO)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PARP10 Q53GL7 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
MAPK8 P45983 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
WDR5 P61964 1/20 0.33

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
SCHEMBL10797201 0.86 KDM4E (0.47) MEN1KMT2AKDM4EGAATDP1
SCHEMBL4575100 0.83 MEN1 (0.38) MTNR1AMEN1KMT2APARP10KDM4E
SCHEMBL3936169 0.82 MEN1 (0.40) MTNR1AMEN1KMT2APARP10KDM4E
SCHEMBL28000844 0.80 MTNR1A (0.42) MTNR1AMEN1KMT2APARP10KDM4E
SCHEMBL4666055 0.79 MEN1 (0.38) MTNR1AMEN1KMT2APARP10KDM4E
SCHEMBL6806709 0.79 MTNR1A (0.35) MTNR1AMEN1KMT2APARP10KDM4E
SCHEMBL15345389 0.79 KDM4E (0.44) MTNR1AMEN1KMT2APARP10KDM4E
SCHEMBL28189392 0.79 MAPK8 (0.42) MTNR1AMEN1KMT2APARP10KDM4E
SCHEMBL31613079 0.76 MTNR1A (0.43) MTNR1AMEN1KMT2APARP10KDM4E
SCHEMBL19325982 0.76 PARP10 (0.46) MTNR1AMEN1KMT2APARP10KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
WO-2012003145-A3 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-05-03 WO disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
WO-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 WO disclosed
WO-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 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 (3 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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MTNR1A 51/4885MEN1 1838/4885KMT2A 2318/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MTNR1A 51/4885MEN1 1838/4885KMT2A 2318/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MTNR1A 51/4885MEN1 1838/4885KMT2A 2318/4885

“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.