SCHEMBL6310904

SCHEMBL6310904

C[C@@H]1C[C@H](c2nc3c(F)cccc3s2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.42
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 6/20 0.41
GAA P10253 5/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
PRNP P04156 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 5/20 0.40
TSHR P16473 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ILK Q13418 1/20 0.38
MAPK1 P28482 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
SCHEMBL5761421 1.00 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5761434 1.00 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL6310913 1.00 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5761426 1.00 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5758952 0.86 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5761660 0.86 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5761670 0.86 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5758956 0.86 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5758961 0.86 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL7963999 0.79 KMT2A (0.67) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20030232833-A1 Benzofuran derivatives ELI LILLY AND COMPANY 2003-12-18 US disclosed
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP 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-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F SMN1; SMN2 3744/4885RAB9A 4158/4885NPC1 3324/4885

“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.