SCHEMBL16787476

SCHEMBL16787476

CC(=O)Nc1c(Br)cc(Br)c2c1CCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.33
MTNR1B P49286 1/20 0.33
KCNJ11 Q14654 1/20 0.32
POLB P06746 1/20 0.32
DYRK1A Q13627 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 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
SCHEMBL28427231 0.84 KDM4E (0.36) NPSR1MEN1KMT2AHPGDCYP1A2
SCHEMBL5315483 0.76 KDM4E (0.35) NPSR1MEN1KMT2AHPGDALDH1A1
SCHEMBL16762291 0.76 MTNR1B (0.45) NPSR1CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL30684072 0.76 MTNR1B (0.45) NPSR1CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL8500298 0.72 HTR4 (0.36) NPSR1CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL6586553 0.71 KDM4E (0.41) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL23012548 0.71 NPSR1 (0.40) NPSR1MEN1KMT2AHPGDCYP1A2
SCHEMBL22821772 0.71 ALDH1A1 (0.39) NPSR1MEN1KMT2AHPGDCYP1A2
SCHEMBL29574086 0.71 NPSR1 (0.40) NPSR1MEN1KMT2AHPGDCYP1A2
SCHEMBL19211613 0.71 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881397-B1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR UNIV KYOTO (JP) 2020-09-02 EP disclosed
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2018-07-10 US disclosed
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2017-12-14 US disclosed
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2017-12-14 US disclosed
US-9745323-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2017-08-29 US disclosed
US-9745323-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor KYOTO UNIVERSITY (JP) 2017-08-29 US disclosed
US-20160303089-A1 COMPOUND PERTAINING TO NEUROPOIESIS AND DRUG COMPOSITION KYOTO UNIVERSITY (JP) 2016-10-20 US disclosed
US-20160303089-A1 COMPOUND PERTAINING TO NEUROPOIESIS AND DRUG COMPOSITION KYOTO UNIVERSITY (JP) 2016-10-20 US disclosed
US-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2015-08-13 US disclosed
US-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR KYOTO UNIVERSITY (JP) 2015-08-13 US disclosed
EP-2881397-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR Kyoto University (JP) 2015-06-10 EP 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 (4 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-20150225421-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT NPSR1 221/4885MEN1 31/4885KMT2A 277/4885
US-20170355715-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION FOR NEUROPSYCHOLOGICAL DISORDER OR MALIGNANT TUMOR VHL, TP53, COMT NPSR1 221/4885MEN1 31/4885KMT2A 277/4885
US-20160303089-A1 COMPOUND PERTAINING TO NEUROPOIESIS AND DRUG COMPOSITION BDNF, DCX, NTRK2 NPSR1 44/4885MEN1 3970/4885KMT2A 1736/4885
US-10017524-B2 Compound and pharmaceutical composition for neuropsychological disorder or malignant tumor VHL, TP53, COMT NPSR1 221/4885MEN1 31/4885KMT2A 277/4885

“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.