SCHEMBL16783447

SCHEMBL16783447

CC(Br)c1oc(=O)c2ccccc2c1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 4/20 0.43
▸ GABRD O14764 4/20 0.43
▸ GABRA1 P14867 4/20 0.43
▸ GABRB1 P18505 4/20 0.43
▸ GABRG2 P18507 4/20 0.43
▸ GABRB3 P28472 4/20 0.43
▸ GABRA5 P31644 4/20 0.43
▸ GABRA3 P34903 4/20 0.43
▸ GABRA2 P47869 4/20 0.43
▸ GABRB2 P47870 4/20 0.43
▸ GABRA4 P48169 4/20 0.43
▸ GABRE P78334 4/20 0.43
▸ GABRA6 Q16445 4/20 0.43
▸ GABRG1 Q8N1C3 4/20 0.43
▸ GABRG3 Q99928 4/20 0.43
▸ GABRQ Q9UN88 4/20 0.43
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39

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
SCHEMBL16783443 0.87 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16783391 0.85 ALDH1A1 (0.41) LMNAHPGDSMN1; SMN2KDM4ENPC1
SCHEMBL16783440 0.84 ALDH1A1 (0.43) LMNAHPGDSMN1; SMN2KDM4EGAA
SCHEMBL16783554 0.84 MAOB (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15599908 0.82 PIK3CD (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8471 0.82 PIK3CD (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16783417 0.82 CYP1A1 (0.43) CYP1A1CYP1A2CYP1B1LMNASMN1; SMN2
SCHEMBL15599907 0.82 PIK3CD (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22504996 0.80 ACHE (0.52) LMNASMN1; SMN2ALDH1A1
SCHEMBL29641609 0.80 ACHE (0.52) LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083617-B1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-09-11 — — EP disclosed
EP-3083617-B1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-09-11 — — EP disclosed
EP-3083617-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2016-10-26 — — EP disclosed
US-9321776-B2 Isochromene derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-04-26 — — US disclosed
US-9321776-B2 Isochromene derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-04-26 — — US disclosed
US-9321776-B2 Isochromene derivatives as phoshoinositide 3-kinases inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-04-26 — — US disclosed
WO-2015091685-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-25 — — WO disclosed
WO-2015091685-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-25 — — WO disclosed
US-20150166549-A1 ISOCHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-18 — — US disclosed
US-20150166549-A1 ISOCHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-18 — — US disclosed
US-20150166549-A1 ISOCHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2015-06-18 — — 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 (1 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-20150166549-A1 ISOCHROMENE DERIVATIVES AS PHOSHOINOSITIDE 3-KINASES INHIBITORS PIKFYVE, IP6K2, IP6K3 GABRP 1595/4885GABRD 4643/4885GABRA1 4463/4885

“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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