SCHEMBL8001493

SCHEMBL8001493

C=C(C)C(=O)Nc1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.53
▸ HDAC3 O15379 12/20 0.53
▸ HDAC2 Q92769 12/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HDAC10 Q969S8 7/20 0.50
▸ HDAC6 Q9UBN7 6/20 0.50
▸ HDAC4 P56524 5/20 0.50
▸ HDAC7 Q8WUI4 5/20 0.50
▸ HDAC11 Q96DB2 5/20 0.50
▸ HDAC8 Q9BY41 5/20 0.50
▸ HDAC9 Q9UKV0 5/20 0.50
▸ HDAC5 Q9UQL6 5/20 0.50
▸ NCOR2 Q9Y618 4/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PTGS1 P23219 1/20 0.45
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45

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
SCHEMBL29642005 1.00 HDAC1 (0.53) HDAC1HDAC3HDAC2MAPK1HDAC10
Propane SCHEMBL17594228 0.95 HDAC1 (0.50) HDAC1HDAC3HDAC2MAPK1HDAC10
SCHEMBL6418936 0.86 NPC1 (0.59) MAPK1NPC1RAB9ATDP1ALDH1A1
SCHEMBL31174164 0.84 HDAC3 (0.64) HDAC1HDAC3HDAC2MAPK1HDAC10
SCHEMBL3071688 0.84 HDAC3 (0.64) HDAC1HDAC3HDAC2MAPK1HDAC10
SCHEMBL13068319 0.83 HDAC3 (0.55) HDAC1HDAC3HDAC2MAPK1HDAC10
SCHEMBL10024769 0.83 CDC25B (0.48) NPC1RAB9ATDP1ALDH1A1KDM4E
SCHEMBL15938389 0.81 HDAC1 (0.53) HDAC1HDAC3HDAC2MAPK1HDAC10
SCHEMBL17847690 0.81 HDAC1 (0.53) HDAC1HDAC3HDAC2MAPK1HDAC10
SCHEMBL959541 0.81 NPC1 (0.77) MAPK1NPC1RAB9ASIGMAR1TDP1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090509-A Solution for making photoconductive layers and their electrophotographical manufacturing in CRTs ORION ELECTRIC CO., LTD. (KR) 2000-07-18 — — US claimed
WO-1998024111-A1 A SOLUTION FOR MAKING PHOTOCONDUCTIVE LAYERS AND THEIR ELECTROPHOTOGRAPHICAL MANUFACTURING IN CRTS ORION ELECTRIC CO., LTD. (KR) 1998-06-04 — — WO claimed
EP-3765552-B1 CATIONIC POLYMERS FOR USE AS ANION EXCHANGE POLYELECTROLYTES 3M INNOVATIVE PROPERTIES CO (US) 2022-05-04 — — EP disclosed
CN-111116451-A Polysubstituted tryptophane benzamide compound and preparation method and application thereof 宁波大学 2020-05-08 — — CN disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 — — EP disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 — — US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 — — US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 — — US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 — — US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 — — US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 — — US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — WO disclosed
EP-2691424-A1 POLYMERIZABLE MONOMER, POLYMERIC COMPOUND, CHARGE CONTROL AGENT CONTAINING THE POLYMERIC COMPOUND, AND DEVELOPER BEARING MEMBER AND TONER WHICH CONTAIN THE CHARGE CONTROL AGENT Canon Kabushiki Kaisha (JP) 2014-02-05 — — EP disclosed
WO-2012133881-A1 POLYMERIZABLE MONOMER, POLYMERIC COMPOUND, CHARGE CONTROL AGENT CONTAINING THE POLYMERIC COMPOUND, AND DEVELOPER BEARING MEMBER AND TONER WHICH CONTAIN THE CHARGE CONTROL AGENT CANON KABUSHIKI KAISHA (JP) 2012-10-04 — — WO disclosed
US-6090509-A Solution for making photoconductive layers and their electrophotographical manufacturing in CRTs ORION ELECTRIC CO., LTD. (KR) 2000-07-18 — — US disclosed
US-6090509-A Solution for making photoconductive layers and their electrophotographical manufacturing in CRTs ORION ELECTRIC CO., LTD. (KR) 2000-07-18 — — US disclosed
WO-1998024111-A1 A SOLUTION FOR MAKING PHOTOCONDUCTIVE LAYERS AND THEIR ELECTROPHOTOGRAPHICAL MANUFACTURING IN CRTS ORION ELECTRIC CO., LTD. (KR) 1998-06-04 — — WO disclosed
US-4018814-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 — — US disclosed
US-4013676-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 — — US disclosed
US-3996247-A ANTHELMINTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-12-07 — — US 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 (2 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HDAC1 789/4885HDAC3 770/4885HDAC2 976/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 HDAC1 789/4885HDAC3 770/4885HDAC2 976/4885

“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.

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