SCHEMBL16806412

SCHEMBL16806412

CC(Br)c1oc(=O)c2ccccc2c1-c1ccc(CN2CCOCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 1/20 0.43
▸ NPC1 O15118 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
▸ GBA1 P04062 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 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
Bromide SCHEMBL16783654 0.99 KDM5B (0.43) KDM5BNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL16806441 0.90 KDM5B (0.43) KDM5BNPC1CYP1A2CYP2D6CYP2C9
Bromide SCHEMBL16783693 0.90 ALDH1A1 (0.40) HRH3ALDH1A1KMT2AMEN1ATM
SCHEMBL16783515 0.90 NPC1 (0.44) KDM5BNPC1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL16783737 0.89 KDM5B (0.43) KDM5BNPC1CYP1A2CYP2D6CYP2C9
SCHEMBL16806414 0.81 NPC1 (0.52) NPC1CYP1A2CYP2D6CYP2C9CYP2C19
Bromide SCHEMBL16783813 0.80 NPC1 (0.51) NPC1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16806402 0.80 ALDH1A1 (0.43) HRH3ALDH1A1KMT2AMEN1ATM
SCHEMBL16806424 0.80 ALDH1A1 (0.56) NPC1CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16783779 0.79 ALDH1A1 (0.42) HRH3ALDH1A1KMT2AMEN1ATM

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 6 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
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
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 KDM5B 4143/4885NPC1 1111/4885CYP1A2 3726/4885

“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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