SCHEMBL13062069

SCHEMBL13062069

Cc1ccnc(NC(=O)[C@H](Cc2ccccc2)n2cc(CNC(=O)c3ccc(S)cc3)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 4/20 0.40
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGA5 P08648 1/20 0.40
ITGB5 P18084 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
IDE P14735 1/20 0.40
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL3743306 0.89 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1
SCHEMBL3743302 0.89 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1
SCHEMBL13062063 0.83 RAB9A (0.45) RAB9ANPC1ALDH1A1ITGB3ITGB1
SCHEMBL13062323 0.76 PTGS2 (0.38) RAB9ANPC1ALDH1A1SMN1; SMN2IL1RN
SCHEMBL13078020 0.73 CA12 (0.52) RAB9AHDAC1HDAC6ALDH1A1KMT2A
SCHEMBL3736209 0.72 CA2 (0.48)
SCHEMBL3736023 0.72 CA2 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3736021 0.72 CA2 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL3735102 0.71 CA2 (0.50) KMT2APKMIL1RNERAP2ERAP1
SCHEMBL3735098 0.71 CA2 (0.50) KMT2APKMIL1RNERAP2ERAP1

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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-12-16 US disclosed
US-7829063-B2 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-11-09 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-20100317842-A1 Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Click Chemistry CA9, CA4, CA13 RAB9A 900/4885NPC1 2136/4885HDAC1 268/4885

“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.