SCHEMBL619799

SCHEMBL619799

c1ccc(OCCOc2ccc3nccnc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KCNA3 P22001 1/20 0.48
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
PKM P14618 1/20 0.46
CYP3A4 P08684 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
PARP10 Q53GL7 1/20 0.43
LTA4H P09960 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLA2G2A P14555 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL621166 0.81 SLC22A12 (0.47) ALDH1A1MAPTMAOARAB9ANPC1
SCHEMBL14937684 0.81 CYP3A4 (0.69) ALDH1A1MAPTCYP3A4RAB9ANPC1
SCHEMBL622641 0.79 FGFR1 (0.48) ALDH1A1MAPTCYP3A4RAB9ANPC1
SCHEMBL622404 0.78 PDE3B (0.48) ALDH1A1MAPTRAB9ANPC1TSHR
Hydrochloric Acid SCHEMBL12502081 0.78 FGFR1 (0.47) TAAR1LTA4HKDM4EPLA2G2A
SCHEMBL11242184 0.77 ALDH1A1 (0.49) ALDH1A1KCNA3MAOBMAOAPKM
SCHEMBL8670094 0.75 KCNA3 (0.67) ALDH1A1KCNA3MAOBMAOAPKM
SCHEMBL26022387 0.75 TDP1 (0.51) ALDH1A1MAPTRAB9ANPC1TSHR
SCHEMBL621960 0.75 KMT2A (0.58) ALDH1A1MAPTPKMCYP3A4RAB9A
SCHEMBL27962 0.74 KCNA3 (0.82) ALDH1A1KCNA3PKMTAAR1RECQL

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 4872/4885KCNA3 546/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885MAPT 4699/4885KCNA3 643/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALDH1A1 4353/4885MAPT 4699/4885KCNA3 643/4885

“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.