SCHEMBL3823318

SCHEMBL3823318

CCc1ccc(-c2ccc(F)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
BRS3 P32247 3/20 0.51
AURKA O14965 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
MET P08581 1/20 0.50
PDGFRB P09619 1/20 0.50
PIM1 P11309 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT3 P36888 1/20 0.50
MAPK8 P45983 1/20 0.50
CDK8 P49336 1/20 0.50
MAP2K1 Q02750 1/20 0.50
MAP4K2 Q12851 1/20 0.50
ROCK1 Q13464 1/20 0.50

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
SCHEMBL9602018 0.89 NPC1 (0.61) RAB9ANPC1SMN1; SMN2BRS3AURKA
SCHEMBL19407055 0.86 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2BRS3AURKA
SCHEMBL803150 0.84 RAB9A (0.69) RAB9ANPC1SMN1; SMN2AURKAABL1
SCHEMBL30083483 0.81 LOXL2 (0.54) RAB9ANPC1SMN1; SMN2BRS3AURKA
SCHEMBL8240137 0.81 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2AURKAABL1
SCHEMBL32670328 0.81 CYP11B1 (0.47) RAB9ANPC1SMN1; SMN2BRS3AURKA
SCHEMBL507838 0.81 CYP11B1 (0.47) RAB9ANPC1SMN1; SMN2BRS3AURKA
SCHEMBL508027 0.81 FYN (0.56) RAB9ANPC1SMN1; SMN2BRS3AURKA
SCHEMBL17610081 0.81 CYP11B1 (0.47) RAB9ANPC1SMN1; SMN2BRS3AURKA
SCHEMBL19398968 0.81 BRS3 (0.48) RAB9ANPC1SMN1; SMN2BRS3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20170273985-A1 TRICYCLIC DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-28 US disclosed
WO-2016042775-A1 TRICYCLIC DERIVATIVE SUNOVION PHARMACEUTICALS INC. (US) 2016-03-24 WO disclosed
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
EP-2091937-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-26 EP disclosed
WO-2008051406-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 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 (5 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 RAB9A 2076/4885NPC1 959/4885SMN1; SMN2 4019/4885
US-20170273985-A1 TRICYCLIC DERIVATIVE PDE3A, PDE2A, PDE5A RAB9A 2397/4885NPC1 3288/4885SMN1; SMN2 3567/4885
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A RAB9A 1310/4885NPC1 3237/4885SMN1; SMN2 2225/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP RAB9A 2012/4885NPC1 569/4885SMN1; SMN2 4444/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP RAB9A 2012/4885NPC1 569/4885SMN1; SMN2 4444/4885

“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.