SCHEMBL684117

SCHEMBL684117

Nc1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.81
KMT2A Q03164 5/20 0.81
POLB P06746 4/20 0.81
TDP1 Q9NUW8 2/20 0.81
LMNA P02545 1/20 0.81
PKM P14618 1/20 0.81
APEX1 P27695 1/20 0.81
PTPN1 P18031 1/20 0.73
MITF O75030 1/20 0.71
PTGS1 P23219 2/20 0.70
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
ATM Q13315 1/20 0.65
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
SNCA P37840 1/20 0.63
MAPT P10636 1/20 0.61
NOS1 P29475 1/20 0.60

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
SCHEMBL16741759 1.00 MEN1 (0.81) MEN1KMT2APOLBTDP1LMNA
SCHEMBL1663276 0.95 MEN1 (0.73) MEN1KMT2APOLBTDP1LMNA
SCHEMBL9681496 0.90 POLB (1.00) MEN1KMT2APOLBTDP1LMNA
SCHEMBL137276 0.90 POLB (1.00) MEN1KMT2APOLBTDP1LMNA
SCHEMBL1353478 0.90 POLB (1.00) MEN1KMT2APOLBTDP1LMNA
SCHEMBL2128727 0.90 POLB (1.00) MEN1KMT2APOLBTDP1LMNA
SCHEMBL30319980 0.90 POLB (1.00) MEN1KMT2APOLBTDP1LMNA
SCHEMBL10684470 0.90 PTPN1 (0.88) MEN1KMT2APOLBTDP1PTPN1
SCHEMBL8442129 0.88 POLB (0.96) MEN1KMT2APOLBTDP1LMNA
Hydrochloric Acid SCHEMBL8640632 0.88 POLB (0.96) MEN1KMT2APOLBTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 US disclosed
US-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 US disclosed
CN-107551825-A High temperature resistant organic solvent-resistant type separation membrane material, seperation film and preparation method thereof 四川大学 2018-01-09 CN disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
CN-106459015-A Amido-substituted azoles as inhibitors of TNKS1 and/or TNKS2 拜耳医药股份公司 2017-02-22 CN disclosed
US-5962473-A Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5942536-A USEFUL FOR TREATING MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
US-5814653-A SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
WO-1997013512-A1 N-[2-SUBSTITUTED-3-(2-AMINOETHYL)-1H-INDOL-5-YL]-AMIDES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1997-04-17 WO disclosed
EP-0768301-A1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists ELI LILLY AND COMPANY (US) 1997-04-16 EP disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MEN1 544/4885KMT2A 921/4885POLB 3335/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS MEN1 4230/4885KMT2A 3378/4885POLB 760/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MEN1 636/4885KMT2A 929/4885POLB 3175/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MEN1 636/4885KMT2A 929/4885POLB 3175/4885

“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.