SCHEMBL620284

SCHEMBL620284

O=C(COc1ccc2nccnc2c1)c1ccc(OC(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.58
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
MDM2 Q00987 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.42
GFER P55789 1/20 0.42
ADAM17 P78536 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL620666 0.81 HTT (0.53) HTTALDH1A1TSHRRAB9ANPC1
SCHEMBL621664 0.70 SLC22A12 (0.54) ALDH1A1TSHRRAB9ANPC1KDM4E
SCHEMBL622032 0.70 MAPT (0.49) HTTALDH1A1TSHRRAB9ANPC1
SCHEMBL10455298 0.69 HDAC3 (0.54) HTTALDH1A1TSHRMDM2RAB9A
SCHEMBL5804124 0.69 HDAC3 (0.56) HTTALDH1A1TSHRMDM2RAB9A
SCHEMBL5804126 0.69 HDAC3 (0.59) HTTALDH1A1TSHRMDM2RAB9A
SCHEMBL10883891 0.69 HDAC3 (0.60) HTTALDH1A1TSHRMDM2RAB9A
SCHEMBL20491355 0.69 ALOX15 (0.56) HTTALDH1A1TSHRMDM2RAB9A
SCHEMBL1856302 0.69 GSK3B (0.59) HTTALDH1A1TSHRMDM2RAB9A
SCHEMBL15496340 0.68 ALDH1A1 (0.49) HTTALDH1A1TSHRMDM2RAB9A

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 HTT 4619/4885ALDH1A1 4235/4885TSHR 1070/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HTT 4317/4885ALDH1A1 4353/4885TSHR 1602/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HTT 4317/4885ALDH1A1 4353/4885TSHR 1602/4885

“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.