SCHEMBL5032293

SCHEMBL5032293

O=[N+]([O-])c1cccc(Nc2nc(Cl)nc(NC3CCCCCC3)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.76
CTSS P25774 4/20 0.76
CTSK P43235 4/20 0.76
CTSB P07858 2/20 0.76
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RAB9A P51151 2/20 0.56
BLM P54132 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
CTSV O60911 1/20 0.53
PLAT P00750 1/20 0.53
CTSH P09668 1/20 0.53
CASP14 P31944 1/20 0.53
CASP6 P55212 1/20 0.53
CTSZ Q9UBR2 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
SCHEMBL3346331 0.85 CTSL (0.98) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5031319 0.83 NFKB1 (0.56) CTSLCTSSCTSKCTSBMEN1
SCHEMBL5031260 0.80 RAB9A (0.62) CTSLCTSSCTSKCTSBRAB9A
SCHEMBL13326008 0.79 RAB9A (0.75) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL14600703 0.79 RAB9A (0.75) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL20938665 0.79 RAB9A (0.75) CTSLCTSSCTSKMEN1KMT2A
SCHEMBL3475933 0.79 NPC1 (0.67) CTSLCTSSCTSKCTSBMEN1
SCHEMBL5031277 0.79 CTSL (0.61) CTSLCTSSCTSKCTSBMEN1
SCHEMBL27223333 0.79 ABCG2 (0.68) CTSLCTSSCTSKCTSBMEN1
SCHEMBL13326014 0.77 GALR2 (0.67) CTSLCTSSCTSKCTSBMAPT

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-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 CTSL 3954/4885CTSS 3208/4885CTSK 3156/4885

“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.