SCHEMBL3925823

SCHEMBL3925823

Cc1cc(-c2ccno2)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP19A1 P11511 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
S1PR1 P21453 2/20 0.39
EPHX2 P34913 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DAPK3 O43293 1/20 0.36
MAPT P10636 4/20 0.35
TOP1 P11387 1/20 0.35
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL438957 0.86 NOTUM (0.47) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL29541595 0.83 NOTUM (0.52) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL5306564 0.76 NOTUM (0.53) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL7832181 0.75 MAPT (0.47) CYP1A2CYP19A1CYP2C9CYP2C19S1PR1
SCHEMBL30624472 0.75 MAPT (0.47) CYP1A2CYP19A1CYP2C9CYP2C19S1PR1
SCHEMBL4303038 0.73 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1CYP1A2CYP2C9
SCHEMBL9768763 0.73 NOTUM (0.77) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL2556889 0.72 RAB9A (0.65) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL3867296 0.72 NOTUM (0.63) NOTUMRAB9ANPC1KDM4EALDH1A1
SCHEMBL2278361 0.70 MEN1 (0.51) NOTUMRAB9ANPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612067-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-11-03 US disclosed
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed
US-20080113978-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-05-15 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 (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-20080113978-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 NOTUM 4740/4885RAB9A 2305/4885NPC1 814/4885

“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.