SCHEMBL6186904

SCHEMBL6186904

Nc1nc(-c2ccc(NC(=O)CN(C(=O)C3CCC(=O)CC3)c3ccc4ncsc4c3)cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 3/20 0.41
▸ CHUK O15111 3/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CHKA P35790 1/20 0.37
▸ CHKB Q9Y259 1/20 0.37
▸ P2RX4 Q99571 1/20 0.36
▸ EPHX2 P34913 3/20 0.35
▸ NPC1 O15118 6/20 0.35
▸ CPB1 P15086 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ ROCK1 Q13464 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34

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
Hydrochloric Acid SCHEMBL6183928 0.91 IKBKB (0.41) IKBKBCHUKRAB9AMEN1KMT2A
SCHEMBL6172852 0.83 RAB9A (0.39) IKBKBCHUKRAB9AMEN1KMT2A
SCHEMBL6173937 0.83 RAB9A (0.40) IKBKBCHUKRAB9AMEN1KMT2A
SCHEMBL6174481 0.80 RAB9A (0.48) IKBKBCHUKRAB9AMEN1KMT2A
SCHEMBL6174153 0.76 RAB9A (0.41) RAB9AMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6172861 0.74 RAB9A (0.44) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6174368 0.74 KMT2A (0.42) IKBKBCHUKRAB9AMEN1KMT2A
SCHEMBL13928711 0.73 RAB9A (0.46) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6173831 0.72 L3MBTL1 (0.47) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL14000181 0.69 CNR1 (0.37) RAB9AMEN1KMT2AALDH1A1MAPT

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 IKBKB 1647/4885CHUK 198/4885RAB9A 1475/4885

“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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