SCHEMBL20259264

SCHEMBL20259264

Cc1cccc(C2=NC(C(C)C)CO2)c1N

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 2/20 0.36
CD44 P16070 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL14403476 0.85 NPC1 (0.63) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL15883113 0.85 NPC1 (0.67) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL14877791 0.85 NPC1 (0.67) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL20634694 0.82 NPC1 (0.56) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL19010013 0.81 NPC1 (0.74) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL28674499 0.81 NPC1 (0.65) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL27865678 0.81 NPC1 (0.65) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL23585151 0.81 NPC1 (0.58) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL28484683 0.81 NPC1 (0.61) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL28484685 0.81 NPC1 (0.61) NPC1MAPTRAB9ASMN1; SMN2MEN1

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-11186570-B2 Intermediate of eribulin and preparation method therefor SELECTION BIOSCIENCE LLC (CN) 2021-11-30 US disclosed
US-20200095235-A1 INTERMEDIATE OF ERIBULIN AND PREPARATION METHOD THEREFOR SELECTION BIOSCIENCE LLC (CN) 2020-03-26 US disclosed
US-10494388-B2 Compounds useful in the synthesis of halichondrin B analogs EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-12-03 US disclosed
US-20180162885-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-06-14 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 (4 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-20200095235-A1 INTERMEDIATE OF ERIBULIN AND PREPARATION METHOD THEREFOR ERLIN1, ERLIN2, CYP4F11 NPC1 2108/4885MAPT 3947/4885RAB9A 2701/4885
US-20180162885-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF HALICHONDRIN B ANALOGS ERLIN1, ERLIN2, MAN1B1 NPC1 1125/4885MAPT 2696/4885RAB9A 1053/4885
US-10494388-B2 Compounds useful in the synthesis of halichondrin B analogs ERLIN1, ERLIN2, MAN1B1 NPC1 1125/4885MAPT 2696/4885RAB9A 1053/4885
US-11186570-B2 Intermediate of eribulin and preparation method therefor ERLIN1, ERLIN2, CYP4F11 NPC1 2108/4885MAPT 3947/4885RAB9A 2701/4885

“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.