SCHEMBL26326821

SCHEMBL26326821

COc1cc(C)cc(OC)c1NCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ PI4KB Q9UBF8 4/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HTR2C P28335 1/20 0.42
▸ EHMT2 Q96KQ7 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GALR1 P47211 1/20 0.41

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
SCHEMBL21256817 0.84 FYN (0.45) KMT2ANPC1RAB9AEHMT2
SCHEMBL26326796 0.81 NPC1 (0.47) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL8704325 0.75 TP53 (0.49) TDP1KMT2AMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL8704174 0.73 TP53 (0.48) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL1240839 0.71 GALR1 (0.59) TDP1PI4KBKMT2AMEN1HTR2C
Hydrochloric Acid SCHEMBL8707793 0.70 NPC1 (0.41) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL14220732 0.70 NPC1 (0.58) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL1240799 0.69 GALR1 (0.44) TDP1PI4KBKMT2AMEN1HTR2C
SCHEMBL5358992 0.68 ABCB1 (0.45) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL21256849 0.68 FYN (0.42) KMT2ANPC1RAB9ASMN1; SMN2

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-11767316-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-09-26 — — 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-11767316-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH TDP1 1840/4885PI4KB 1208/4885KMT2A 3273/4885

“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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