SCHEMBL13601928

SCHEMBL13601928

Cc1cc(-c2cccc(Br)n2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
ALDH1A1 P00352 3/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
GRM5 P41594 1/20 0.34
NR1I2 O75469 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 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
SCHEMBL2144710 0.79 ASIC3 (0.44) KDM4ERAB9ANPC1ALDH1A1CCR1
SCHEMBL10161701 0.78 NOTUM (0.39) RAB9ANPC1HTTCYP2C9MAPT
SCHEMBL229994 0.76 CCR1 (0.46) KDM4ERAB9AALDH1A1CCR1CCR8
SCHEMBL29539234 0.76 CCR1 (0.46) KDM4ERAB9AALDH1A1CCR1CCR8
SCHEMBL24742562 0.75 NOTUM (0.58) RAB9ANPC1HTTCYP1A2CYP2C9
SCHEMBL13601891 0.75 CTSS (0.43) KDM4ERAB9ANPC1ALDH1A1CCR1
SCHEMBL10130790 0.74 RAB9A (0.41) KDM4ERAB9ANPC1ALDH1A1HTT
SCHEMBL15293903 0.74 KDM4E (0.40) KDM4ERAB9ANPC1ALDH1A1CCR1
SCHEMBL700152 0.73 CCR1 (0.46) KDM4ERAB9AALDH1A1CCR1CCR8
SCHEMBL31354842 0.73 CCR1 (0.46) KDM4ERAB9AALDH1A1CCR1CCR8

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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 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 (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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885RAB9A 2564/4885NPC1 387/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885RAB9A 2564/4885NPC1 387/4885

“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.