SCHEMBL5758952

SCHEMBL5758952

Cc1cccc2sc([C@@H]3CCN[C@H](C)C3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 5/20 0.36
PKM P14618 1/20 0.34
GAA P10253 3/20 0.34
HTR2C P28335 3/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ADORA2A P29274 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
SCHEMBL5761660 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5758961 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5758956 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5761670 1.00 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5761421 0.86 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5761434 0.86 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6310904 0.86 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6310913 0.86 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5761426 0.86 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL7963421 0.83 MEN1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-6844344-B2 Benzofuran derivatives ELI LILLY AND COMPANY (US) 2005-01-18 US disclosed
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 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
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO 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 (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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 ALDH1A1 101/4885MEN1 3303/4885KMT2A 687/4885
US-20030232833-A1 Benzofuran derivatives BRD1, BPTF, HTR1F ALDH1A1 90/4885MEN1 4207/4885KMT2A 781/4885

“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.