SCHEMBL6173123

SCHEMBL6173123

COc1ccc(NCC(=O)Nc2ccc(-c3csc(N)n3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.61
▸ NPC1 O15118 5/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ MGLL Q99685 1/20 0.60
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ GAA P10253 2/20 0.58
▸ LTA4H P09960 1/20 0.57
▸ SGK1 O00141 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ LMNA P02545 2/20 0.53
▸ TP53 P04637 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ CSNK2A1 P68400 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ GSTO1 P78417 1/20 0.48

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
SCHEMBL6173120 0.82 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6173235 0.81 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14825155 0.79 RAB9A (0.75) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL127807 0.78 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
Bromide SCHEMBL8355367 0.77 RAB9A (0.96) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL18456556 0.77 ADORA3 (0.67) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL6173977 0.76 KMT2A (0.54) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL6174678 0.76 KMT2A (0.48) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL6171897 0.76 KMT2A (0.48) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
Hydrochloric Acid SCHEMBL6177018 0.76 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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-6949543-B2 Amide derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 — — US disclosed
EP-1340750-B1 AMIDE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2005-08-17 — — EP disclosed
US-20040034232-A1 Amide derivative ASTELLAS PHARMA INC. (JP) 2004-02-19 — — US disclosed
EP-1340750-A1 AMIDE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-09-03 — — 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-20040034232-A1 Amide derivative HDAC2, ZC3HAV1, HDAC4 RAB9A 1475/4885NPC1 3690/4885SMN1; SMN2 4304/4885

“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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