SCHEMBL6714901

SCHEMBL6714901

O=C(Nc1ccc(Cl)cn1)c1nccnc1[C](c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
TSHR P16473 3/20 0.55
ALDH1A1 P00352 1/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 2/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTK2 Q05397 1/20 0.54
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL28764679 0.89 L3MBTL1 (0.66) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29837506 0.89 L3MBTL1 (0.66) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29738591 0.86 KMT2A (0.60) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3001084 0.86 KMT2A (0.60) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29738593 0.86 KMT2A (0.60) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7069217 0.84 KMT2A (0.79) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5205251 0.82 L3MBTL1 (0.57) RAB9ANPC1SMN1; SMN2KMT2ACASP3
SCHEMBL18070988 0.81 L3MBTL1 (0.60) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13923493 0.79 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6772756 0.79 GRM5 (0.62) RAB9ANPC1SMN1; SMN2KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US claimed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US claimed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US claimed
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 EP claimed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 WO claimed

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-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A RAB9A 2103/4885NPC1 2397/4885SMN1; SMN2 1708/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A RAB9A 2103/4885NPC1 2397/4885SMN1; SMN2 1708/4885

“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.