SCHEMBL30914520

SCHEMBL30914520

O=C(NCCC(F)F)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.69
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.56
PRSS1 P07477 1/20 0.54
CTSG P08311 1/20 0.54
CTRB1 P17538 1/20 0.54
CMA1 P23946 1/20 0.54
HPGD P15428 2/20 0.53
RECQL P46063 1/20 0.53
NAAA Q02083 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53

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
SCHEMBL3192014 0.82 LMNA (0.77) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL496789 0.81 SMN1; SMN2 (0.81) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL5948102 0.81 EPHX2 (1.00) EPHX2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13862225 0.81 NPC1 (0.62) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL28767455 0.80 EPHX2 (0.67) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL28152983 0.80 EPHX2 (0.61) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL27389698 0.79 EPHX2 (0.65) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL8851563 0.79 EPHX2 (0.65) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL28242822 0.79 EPHX2 (0.75) EPHX2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL27790062 0.79 EPHX2 (0.65) EPHX2NPC1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 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-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA EPHX2 668/4885NPC1 1946/4885RAB9A 391/4885

“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.