SCHEMBL620666

SCHEMBL620666

FC(F)Oc1ccc2nccnc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
MAPT P10636 7/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
GSK3A P49840 1/20 0.38

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
SCHEMBL620284 0.81 HTT (0.58) HTTMAPTSMN1; SMN2RAB9ANPC1
SCHEMBL622749 0.80 FGFR1 (0.47) HTTMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL28062493 0.78 ALDH1A1 (0.54) HTTMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL12496974 0.78 CYP3A4 (0.54) HTTKMT2AMEN1RAB9ANPC1
SCHEMBL16684318 0.75 ALDH1A1 (0.43) HTTMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL16671515 0.75 ALDH1A1 (0.43) HTTMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL5516674 0.75 LMNA (0.43) HTTMAPTALDH1A1CYP3A4CYP1A2
SCHEMBL622115 0.72 KDM4E (0.56) MAPTKMT2ASMN1; SMN2MEN1RAB9A
SCHEMBL29550130 0.72 KDM4E (0.56) MAPTKMT2ASMN1; SMN2MEN1RAB9A
SCHEMBL12817638 0.72 MAPT (0.41) HTTMAPTKMT2ASMN1; SMN2MEN1

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 4619/4885MAPT 4872/4885KMT2A 3611/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HTT 4317/4885MAPT 4699/4885KMT2A 3261/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HTT 4317/4885MAPT 4699/4885KMT2A 3261/4885

“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.