SCHEMBL508102

SCHEMBL508102

BrCC#Cc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.41
CYP2A6 P11509 1/20 0.40
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
LMNA P02545 1/20 0.35
ACACB O00763 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
GSK3B P49841 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
MAPK1 P28482 1/20 0.32
HTR2A P28223 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL2176081 0.82 CHRNA7 (0.40) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4621099 0.78 PYCR1 (0.40) PYCR1CYP2A6MAOBMAOALMNA
SCHEMBL22122003 0.78 CYP2C19 (0.60) PYCR1CYP2A6MAOBMAOALMNA
SCHEMBL797749 0.78 FFAR1 (0.40) PYCR1CYP2A6MAOBMAOALMNA
SCHEMBL13997198 0.78 PYCR1 (0.47) PYCR1CYP2A6MAOBMAOALMNA
SCHEMBL2432676 0.78 LMNA (0.46) CYP2A6MAOBMAOALMNAACACB
SCHEMBL565489 0.78 APP (0.36) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1066892 0.78 KCNH2 (0.53) CYP2A6LMNAACACBGSK3BKCNH2
SCHEMBL81530 0.78 MMP2 (0.47) PYCR1CYP2A6MAOBMAOALMNA
SCHEMBL104471 0.78 FFAR1 (0.40) MAOBMAOALMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
EP-2459571-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY Global Alliance For Tb Drug Development (US) 2012-06-06 EP disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US disclosed
WO-2011014774-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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 (1 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-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 PYCR1 294/4885CYP2A6 3235/4885MAOB 663/4885

“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.