SCHEMBL16783829

SCHEMBL16783829

CC(O)c1oc(=O)c2ccccc2c1-c1ccc(/C=C/CN(C)C)s1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMPD2 O60906 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ BCHE P06276 3/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ STAT6 P42226 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL16783830 1.00 ACHE (0.32) ACHEALDH1A1SMN1; SMN2LMNASMPD2
SCHEMBL21337721 0.88 CYP1A2 (0.36) ACHEALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL16843352 0.82 ALDH1A1 (0.34) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16783503 0.82 KDM4E (0.38) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16783533 0.80 ALDH1A1 (0.38) ACHEALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL16783534 0.80 ALDH1A1 (0.38) ACHEALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL16783748 0.77 ALDH1A1 (0.36) ACHEALDH1A1SMN1; SMN2LMNASMPD2
SCHEMBL16783749 0.77 ALDH1A1 (0.36) ACHEALDH1A1SMN1; SMN2LMNASMPD2
SCHEMBL16806402 0.72 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL21337764 0.71 ALDH1A1 (0.34) ALDH1A1LMNAMEN1NPC1KMT2A

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
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
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 ACHE 3164/4885ALDH1A1 4808/4885SMN1; SMN2 2859/4885

“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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