SCHEMBL17396232

SCHEMBL17396232

COc1ccc(NC(=N)c2ccc(Br)c(F)c2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
NAMPT P43490 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MAOB P27338 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MAP2K1 Q02750 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL17396257 0.84 NPC1 (0.47) RAB9AHTTSMN1; SMN2MAOBMEN1
SCHEMBL16489239 0.79 KMT2A (0.45) RAB9AMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL2326653 0.78 HTT (0.57) RAB9ALMNAMAPK1HTTKCNQ3
SCHEMBL5594699 0.77 PTGS2 (0.51) RAB9ALMNAMAPK1HTTKCNQ3
SCHEMBL24669380 0.75 GRM4 (0.56) RAB9AKCNQ3KCNQ2SMN1; SMN2MAOB
SCHEMBL29803730 0.75 GRM4 (0.56) RAB9AKCNQ3KCNQ2SMN1; SMN2MAOB
SCHEMBL10310245 0.74 CYP1A2 (0.46) RAB9ALMNAMAPK1HTTKCNQ3
SCHEMBL17396335 0.73 HDAC8 (0.47) MAOB
SCHEMBL11620079 0.72 ALDH1A1 (0.48) RAB9ALMNAMAPK1HTTSMN1; SMN2
SCHEMBL25384738 0.71 HDAC1 (0.38) RAB9ASMN1; SMN2MAOBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3164509-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2021-12-29 EP disclosed
CN-106604997-B Inhibitors of lysine-specific demethylase-1 赛尔基因昆蒂赛尔研究公司 2021-02-19 CN disclosed
US-10626103-B2 Inhibitor of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10626104-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10626103-B2 Inhibitor of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10626104-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-21 US disclosed
US-10414750-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-09-17 US disclosed
US-10414750-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-09-17 US disclosed
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-09-20 US disclosed
EP-3164509-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2017-05-10 EP disclosed
WO-2016004105-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2016-01-07 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 (6 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-10626104-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A RAB9A 3036/4885LMNA 2879/4885MAPK1 2360/4885
US-10414750-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A RAB9A 3036/4885LMNA 2879/4885MAPK1 2360/4885
US-10626103-B2 Inhibitor of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A RAB9A 3043/4885LMNA 2837/4885MAPK1 2311/4885
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A RAB9A 3043/4885LMNA 2837/4885MAPK1 2311/4885
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A RAB9A 3036/4885LMNA 2879/4885MAPK1 2360/4885
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A RAB9A 3036/4885LMNA 2879/4885MAPK1 2360/4885

“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.