SCHEMBL21256826

SCHEMBL21256826

Cc1ccc(NCC2CCOCC2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ KCNH3 Q9ULD8 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ PTGER4 P35408 2/20 0.39
▸ RIPK2 O43353 1/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ FYN P06241 1/20 0.38
▸ CREBBP Q92793 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ BRD4 O60885 1/20 0.37

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
SCHEMBL26326819 0.85 NPC1 (0.56) NPC1RAB9AKMT2AGAAPTGER4
SCHEMBL22965291 0.81 KMT2A (0.45) NPC1RAB9AKMT2AKCNH3IRAK4
SCHEMBL18583908 0.78 KAT2B (0.53) KMT2A
SCHEMBL21256816 0.74 KCNH3 (0.47) NPC1RAB9AKMT2AGAAKCNH3
SCHEMBL14838605 0.73 RAPGEF4 (0.48) NPC1RAB9AKMT2APTGER4BRD4
SCHEMBL9604228 0.70 PTGER4 (0.58) NPC1GAAPTGER4BRD4
SCHEMBL11211267 0.70 CYP3A4 (0.50) NPC1RAB9AKMT2AGAA
SCHEMBL18074993 0.70 HCAR3 (0.49) NPC1RAB9AKMT2APTGER4
SCHEMBL13432211 0.69 KDM4E (0.48) KCNH3IRAK4RIPK2CNR2
SCHEMBL18075179 0.69 PTGER4 (0.44) KCNH3PTGER4CNR2CREBBPRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321033-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS ENYO PHARMA (FR) 2023-10-12 — — US disclosed
US-11767316-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-09-26 — — US disclosed
US-20210040059-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES Institut National de la Santé et de la Recherche Médicale (FR) 2021-02-11 — — US disclosed
WO-2019154956-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 — — WO 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-20210040059-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH NPC1 320/4885RAB9A 1953/4885KMT2A 3273/4885
US-11767316-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH NPC1 320/4885RAB9A 1953/4885KMT2A 3273/4885
US-20230321033-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS TST, TPMT, MMP1 NPC1 1684/4885RAB9A 2885/4885KMT2A 2985/4885

“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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