SCHEMBL21047570

SCHEMBL21047570

O=C1CCN(c2nccs2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ GRM1 Q13255 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ SLC6A7 Q99884 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ TRPV1 Q8NER1 2/20 0.39
▸ SCD O00767 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ OGA O60502 1/20 0.36

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
SCHEMBL21047665 0.90 HPGD (0.42) NPC1RAB9AMEN1TDP1POLB
SCHEMBL17893552 0.89 NPC1 (0.47) NPC1RAB9AMEN1TDP1POLB
Ethylene SCHEMBL8379839 0.86 NPC1 (0.45) NPC1RAB9AMEN1TDP1POLB
SCHEMBL29102030 0.76 — —
SCHEMBL160290 0.72 NPC1 (0.53) NPC1RAB9AMEN1TDP1POLB
SCHEMBL15058848 0.72 — —
SCHEMBL23922308 0.71 NPC1 (0.49) NPC1RAB9AMEN1TDP1POLB
Bromide SCHEMBL6317924 0.71 NPC1 (0.51) NPC1RAB9AMEN1TDP1POLB
SCHEMBL13711959 0.71 NPC1 (0.51) NPC1RAB9AMEN1HPGDGRM5
SCHEMBL233663 0.71 NPC1 (0.51) NPC1RAB9AMEN1HPGDGRM5

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
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 — — EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 — — US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 — — EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 — — 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 (2 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS NPC1 1884/4885RAB9A 3527/4885MEN1 1558/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS NPC1 1884/4885RAB9A 3527/4885MEN1 1558/4885

“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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