SCHEMBL7045920

SCHEMBL7045920

O=C(CCC1CCCCC1)NCC(CCc1ccccc1O)c1nc2cc(Cl)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
HPGD P15428 3/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
BACE1 P56817 2/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
PTGES O14684 3/20 0.36
POLB P06746 1/20 0.35
USP30 Q70CQ3 1/20 0.35
P2RY14 Q15391 1/20 0.35

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
SCHEMBL7045440 0.90 HPGD (0.41) CTSSHPGDNPC1ALDH1A1NFKB1
SCHEMBL6465743 0.80 CTSS (0.40) CTSLCTSSKMT2ABACE1LMNA
SCHEMBL6465745 0.76 KMT2A (0.43) CTSLCTSSALDH1A1RAB9ASMN1; SMN2
SCHEMBL7049302 0.75 FAAH (0.40) HPGDNPC1ALDH1A1NFKB1RAB9A
SCHEMBL7045311 0.72 KMT2A (0.42) CTSLCTSSHPGDRAB9AKMT2A
SCHEMBL7045308 0.72 CTSS (0.49) CTSLCTSSRAB9ASMN1; SMN2KMT2A
SCHEMBL7045923 0.70 KMT2A (0.46) CTSLCTSSHPGDRAB9ASMN1; SMN2
SCHEMBL7112289 0.70 HPGD (0.41) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7044965 0.70 ALDH1A1 (0.43) HPGDALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6463648 0.70 CTSS (0.39) CTSLCTSSHPGDNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CTSL 18/4885CTSS 9/4885HPGD 536/4885

“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.