SCHEMBL17981012

SCHEMBL17981012

Cc1ccc2c[n+]([O-])cc(Br)c2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.38
CYP1A2 P05177 4/20 0.38
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL4061977 0.72 ATM (0.38) CYP2A6LMNAKDM4EALDH1A1GAA
SCHEMBL30467697 0.70 LMNA (0.35) CYP2A6CYP1A2LMNAKDM4EALDH1A1
SCHEMBL26772160 0.70 LMNA (0.35) CYP2A6CYP1A2LMNAKDM4EALDH1A1
SCHEMBL6991227 0.69 ERN1 (0.36) CYP2A6TDP1LMNAKDM4EALDH1A1
SCHEMBL10391567 0.68 CYP2A6 (0.63) CYP2A6CYP1A2TDP1ALDH1A1GAA
SCHEMBL26205353 0.67 CYP1A2 (0.42) CYP2A6CYP1A2TDP1LMNAKDM4E
SCHEMBL25252937 0.67 CYP1A2 (0.52) CYP2A6CYP1A2TDP1LMNAKDM4E
SCHEMBL3698199 0.67 CYP1A2 (0.54) CYP2A6CYP1A2TDP1LMNAKDM4E
SCHEMBL4071402 0.67 F7 (0.33) CYP2A6
SCHEMBL11495194 0.66 CYP1A2 (0.46) CYP2A6CYP1A2TDP1LMNAKDM4E

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-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARM INT AG (CH) 2020-01-30 US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 US disclosed
EP-3256217-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2017-12-20 EP disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 WO disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 WO 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 (2 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-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 CYP2A6 767/4885CYP1A2 296/4885TDP1 3341/4885
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 CYP2A6 771/4885CYP1A2 297/4885TDP1 3348/4885

“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.