SCHEMBL4518539

SCHEMBL4518539

Brc1ccccc1-c1cscn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
HSD17B10 Q99714 1/20 0.52
IDO1 P14902 6/20 0.44
TDO2 P48775 3/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
METAP2 P50579 2/20 0.42
METAP1 P53582 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
FKBP1A P62942 1/20 0.42

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
SCHEMBL27736235 0.92 LMNA (0.46) LMNAHSD17B10IDO1TDO2MAPT
SCHEMBL26259974 0.78 SCN9A (0.43) IDO1TDO2METAP2METAP1KDM4E
SCHEMBL26259959 0.78 METAP2 (0.44) HSD17B10IDO1TDO2METAP2METAP1
SCHEMBL29430087 0.78 METAP2 (0.46) LMNAHSD17B10IDO1TDO2MAPT
SCHEMBL466425 0.78 IDO1 (0.46) HSD17B10IDO1TDO2METAP2METAP1
SCHEMBL10151023 0.78 MPL (0.50) IDO1TDO2MAPTMETAP2METAP1
SCHEMBL4533675 0.78 METAP2 (0.46) LMNAHSD17B10IDO1TDO2MAPT
SCHEMBL4515967 0.78 CYP19A1 (0.47) HSD17B10IDO1TDO2METAP2METAP1
SCHEMBL11815358 0.78 IDO1 (0.46) HSD17B10IDO1TDO2MAPTNPSR1
SCHEMBL2789458 0.78 CYP19A1 (0.47) LMNAHSD17B10IDO1TDO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 CN disclosed
CN-105408320-B 3- (aryl or heteroaryl) methyl indol -2- ketone derivatives as cancer stem cell approach kinase inhibitor for treating cancer 北京强新生物科技有限公司 2019-08-13 CN disclosed
CN-109593088-A Azabicyclic derivatives and its preparation and application 华东理工大学 2019-04-09 CN disclosed
CN-108699035-A Noval chemical compound 特殊治疗有限公司 2018-10-23 CN disclosed
CN-107849013-A It is used for the cyanopyrrole alkanes for the treatment of cancer as DUB inhibitor 特殊治疗有限公司 2018-03-27 CN disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
CN-105408320-A 3-(aryl or heteroaryl) methyleneindolin-2-one derivatives as inhibitors of cancer stem cell pathway kinases for the treatment of cancer BOSTON BIOMEDICAL INC 2016-03-16 CN disclosed
CN-103221047-B Compounds and methods TEMPERO PHARMACEUTICALS INC 2014-12-17 CN disclosed
CN-103221047-A Compounds and methods TEMPERO PHARMACEUTICALS INC 2013-07-24 CN disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
CN-1310893-C Condensation reagent and its preparation method BAYER AG (DE) 2007-04-18 CN disclosed
CN-1365975-A Condensation reagent and its preparation method BAYER AG (DE) 2002-08-28 CN 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 LMNA 594/4885HSD17B10 3677/4885IDO1 3851/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 LMNA 594/4885HSD17B10 3677/4885IDO1 3851/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 LMNA 819/4885HSD17B10 1209/4885IDO1 2838/4885

“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.