SCHEMBL5544657

SCHEMBL5544657

Cc1ccc(-c2ccccc2F)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 6/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
SLC9A1 P19634 1/20 0.45
PDE4B Q07343 2/20 0.44
PKM P14618 1/20 0.44
F2 P00734 1/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
AMY1A P0DUB6 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL18551803 0.84 SLC9A1 (0.48) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL12826605 0.78 ALDH1A1 (0.51) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL9970934 0.76 AMY1A (0.47) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL5544654 0.75 KMT2A (0.46) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL1616485 0.75 ALDH1A1 (0.53) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL5544530 0.75 ALDH1A1 (0.49) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL22537024 0.75 KDM4E (0.49) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL2976632 0.75 ALDH1A1 (0.49) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL10028048 0.75 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1MAPTHTT
SCHEMBL2608431 0.73 NPFFR1 (0.49) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
WO-2017139689-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 WO disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP disclosed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 SMN1; SMN2 1263/4885KDM4E 4110/4885ALDH1A1 2043/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 SMN1; SMN2 3985/4885KDM4E 4854/4885ALDH1A1 355/4885

“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.