SCHEMBL3606434

SCHEMBL3606434

O=[N+]([O-])c1ccc(F)c2[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.53
TDP1 Q9NUW8 4/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
APEX1 P27695 1/20 0.49
NOS3 P29474 1/20 0.49
CYP2C19 P33261 1/20 0.49
NOS2 P35228 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL12282300 0.87 NOS1 (0.53) NOS1TDP1MAPTSMN1; SMN2KDM4E
SCHEMBL11606284 0.86 MAPT (0.59) NOS1TDP1MAPTSMN1; SMN2KDM4E
SCHEMBL3614154 0.80 NOS1 (0.53) NOS1TDP1MAPTSMN1; SMN2KDM4E
SCHEMBL11686320 0.80 NOS1 (0.53) NOS1TDP1MAPTSMN1; SMN2KDM4E
SCHEMBL30641196 0.76 MAPT (0.42) NOS1TDP1MAPTSMN1; SMN2KDM4E
SCHEMBL21271908 0.76 MAPT (0.42) NOS1TDP1MAPTSMN1; SMN2KDM4E
SCHEMBL4731645 0.76 METAP2 (0.40) NOS1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL31358108 0.76 METAP2 (0.40) NOS1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL23275822 0.73 NOS1 (0.53) NOS1TDP1MAPTSMN1; SMN2KDM4E
SCHEMBL21873966 0.73 NOS1 (0.61) NOS1TDP1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756805-A Pteridinone derivatives as RSK inhibitors and their use 华东师范大学 2024-03-26 CN disclosed
US-20240043400-A1 Octahydroisoquinolinyl Derivatives UCB Biopharma SRL (BE) 2024-02-08 US disclosed
EP-4267555-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2023-11-01 EP disclosed
CN-116507332-A Octahydroisoquinolinyl derivatives UCB生物制药有限责任公司 2023-07-28 CN disclosed
WO-2022117678-A1 OCTAHYDROISOQUINOLINYL DERIVATIVES UCB Biopharma SRL (BE) 2022-06-09 WO disclosed
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-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-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-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
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 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 (8 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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF NOS1 3738/4885TDP1 1691/4885MAPT 4701/4885
US-10626104-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A NOS1 854/4885TDP1 292/4885MAPT 3093/4885
US-10414750-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A NOS1 854/4885TDP1 292/4885MAPT 3093/4885
US-10626103-B2 Inhibitor of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A NOS1 896/4885TDP1 310/4885MAPT 2977/4885
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A NOS1 896/4885TDP1 310/4885MAPT 2977/4885
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A NOS1 854/4885TDP1 292/4885MAPT 3093/4885
US-20240043400-A1 Octahydroisoquinolinyl Derivatives OPRD1, OPRK1, OPRL1 NOS1 2145/4885TDP1 2357/4885MAPT 3296/4885
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A NOS1 854/4885TDP1 292/4885MAPT 3093/4885

“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.