SCHEMBL621782

SCHEMBL621782

CS(=O)(=O)Oc1ccc2nccnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 7/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
CA2 P00918 4/20 0.39
CA5A P35218 2/20 0.39
STAT1 P42224 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 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
SCHEMBL10296001 0.80 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6802724 0.80 CYP3A4 (0.51) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL9823350 0.76 TDP1 (0.51) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL622115 0.74 KDM4E (0.56) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL29550130 0.74 KDM4E (0.56) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL27394057 0.73 HPGD (0.47) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL575589 0.72 CA2 (0.52) ALDH1A1HPGDKDM4EGAACA2
SCHEMBL27667289 0.72 UHRF1 (0.43) ALDH1A1HPGDKDM4EGAACA2
SCHEMBL23903922 0.71 OGA (0.46) ALDH1A1MAPTSMN1; SMN2TP53HPGD
SCHEMBL621960 0.71 KMT2A (0.58) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 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 (3 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 ALDH1A1 4235/4885MAPT 4872/4885RAB9A 3837/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885MAPT 4699/4885RAB9A 2337/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885MAPT 4699/4885RAB9A 2337/4885

“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.