SCHEMBL16529280

SCHEMBL16529280

CCOC(=O)c1cc(C(F)(F)F)cc(Br)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ NOTUM Q6P988 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41

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
SCHEMBL7112918 0.84 KDM4E (0.47) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30033650 0.84 CFTR (0.55) KDM4EMAPTNOTUMALDH1A1HSD17B10
SCHEMBL16529477 0.83 GABRP (0.51) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL16529569 0.82 KDM4E (0.42) KDM4EMAPTSMN1; SMN2IDO1ALDH1A1
SCHEMBL28652999 0.80 ALDH1A1 (0.47) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2821342 0.80 ALDH1A1 (0.47) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL22719416 0.79 MRGPRX4 (0.47) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8997654 0.79 MRGPRX4 (0.47) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL19783054 0.78 HPGD (0.48) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL16529229 0.77 KDM4E (0.50) KDM4ENOTUMALDH1A1HSD17B10GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 — — US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 — — US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 — — US disclosed
US-9567304-B2 Quinazolinedione derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2017-02-14 — — US disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 — — EP disclosed
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 — — EP disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 — — US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 — — US disclosed
EP-3061749-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-08-31 — — EP disclosed
EP-3061749-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-08-31 — — EP disclosed
CN-105829285-A Quinazolinone and isoquinolinone derivatives 中外制药株式会社 2016-08-03 — — CN disclosed
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-05-21 — — US disclosed
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-05-21 — — US disclosed
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-05-21 — — US disclosed
WO-2015060373-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE 中外製薬株式会社 2015-04-30 — — WO disclosed
EP-2842946-A1 QUINAZOLINEDIONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 — — EP disclosed
EP-2842946-A1 QUINAZOLINEDIONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2015-03-04 — — EP disclosed
CN-104379568-A Quinazolinedione derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 — — 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-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE NQO2, SDHA, CYP3A5 KDM4E 3138/4885NPC1 776/4885MAPT 2035/4885
US-10005739-B2 Quinazolinone and isoquinolinone derivative NQO2, SDHA, CYP3A5 KDM4E 3138/4885NPC1 776/4885MAPT 2035/4885
US-20150141400-A1 QUINAZOLINEDIONE DERIVATIVE PPARD, SLC5A2, PPARG KDM4E 3302/4885NPC1 527/4885MAPT 3292/4885

“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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