SCHEMBL4440407

SCHEMBL4440407

CON(C)C(=O)Cc1ccc(F)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ PTGS1 P23219 1/20 0.35

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
SCHEMBL1515850 0.86 HDAC4 (0.45) KDM4EHDAC6HDAC4TSHRALDH1A1
SCHEMBL22607853 0.84 HPGD (0.41) HDAC6HDAC4ALDH1A1MEN1KMT2A
SCHEMBL16929957 0.82 HDAC1 (0.52) KDM4EHDAC6ALDH1A1LMNAMEN1
SCHEMBL15471926 0.82 MEN1 (0.45) HDAC6HDAC4TSHRMEN1KMT2A
SCHEMBL22445500 0.81 HDAC6 (0.43) KDM4EHDAC6HDAC4ALDH1A1KMT2A
SCHEMBL30965121 0.81 RAB9A (0.43) KDM4EHDAC6HDAC4ALDH1A1MEN1
SCHEMBL137265 0.78 ALDH1A1 (0.51) KDM4EHDAC6NPSR1CYP1A2CYP2D6
SCHEMBL1707314 0.78 KMT2A (0.51) KDM4EHDAC6HDAC4ALDH1A1LMNA
SCHEMBL1399311 0.78 TDP1 (0.56) KDM4EHDAC6HDAC4ALDH1A1LMNA
SCHEMBL1707313 0.76 TAAR1 (0.46) HDAC6HDAC4MAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2023-06-06 — — US disclosed
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2023-06-06 — — US disclosed
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2023-06-06 — — US disclosed
CN-111511736-B Nitrogen-containing 6-membered ring compound 旭化成制药株式会社 2023-03-24 — — CN disclosed
EP-3733665-B1 2-OXO-1,3,4-THIADIAZINAN-3-YL MOIETY CONTAINING COMPOUNDS WITH EP4 RECEPTOR AGONIST ACTIVITY ASAHI KASEI PHARMA CORP (JP) 2022-09-28 — — EP disclosed
US-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2021-06-24 — — US disclosed
US-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2021-06-24 — — US disclosed
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2021-04-27 — — US disclosed
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2021-04-27 — — US disclosed
US-20200347046-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2020-11-05 — — US disclosed
US-9283222-B2 Inhibitors of poly(ADP-ribose)polymerase ABBVIE INC. (US) 2016-03-15 — — US disclosed
EP-2698062-B1 Inhibitors of poly(adp-ribose)polymerase ABBVIE INC (US) 2015-06-24 — — EP disclosed
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC. (US) 2014-07-31 — — US disclosed
EP-2698062-A1 Inhibitors of poly(adp-ribose)polymerase Abbvie Inc. (US) 2014-02-19 — — EP disclosed
EP-2120579-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2013-11-13 — — EP disclosed
US-8466150-B2 Inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2013-06-18 — — US disclosed
EP-2120579-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2009-11-25 — — EP disclosed
US-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents ABBOTT LABORATORIES (US) 2008-10-30 — — US disclosed
WO-2008083027-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 — — WO disclosed
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 — — 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 (7 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-20080269234-A1 Such as 7-((cyclohexyl)methyl) pyrido(2,3-d )pyridazine-4(5H)-one; anticancer agents; antiinflammatory agents;antiischemic agents; antidiabetic agents PARP1, DPYD, PARP2 KDM4E 2763/4885HDAC6 916/4885HDAC4 492/4885
US-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND PTGER4, EPB41, BMP4 KDM4E 1673/4885HDAC6 1757/4885HDAC4 170/4885
US-20140212509-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 KDM4E 4026/4885HDAC6 223/4885HDAC4 734/4885
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound PTGER4, EPB41, BMP4 KDM4E 1673/4885HDAC6 1757/4885HDAC4 170/4885
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound PTGER4, EPB41, BMP4 KDM4E 1673/4885HDAC6 1757/4885HDAC4 170/4885
US-20080161280-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 KDM4E 4026/4885HDAC6 223/4885HDAC4 734/4885
US-20200347046-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND PTGER4, EPB41, BMP4 KDM4E 1673/4885HDAC6 1757/4885HDAC4 170/4885

“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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