SCHEMBL14201867

SCHEMBL14201867

CCc1ccc(-c2ccc(Cl)s2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.56
CYP11B2 P19099 2/20 0.56
KDM1A O60341 1/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.40
HDAC1 Q13547 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGDS O60760 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2A6 P11509 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL19068865 0.87 CYP11B1 (0.53) CYP11B1CYP11B2KDM1ANPC1RAB9A
SCHEMBL17229340 0.82 CYP11B1 (0.52) CYP11B1CYP11B2KDM1AL3MBTL1HDAC1
SCHEMBL7563886 0.77 RAB9A (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL31280939 0.77 RAB9A (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL19243082 0.77 CCR1 (0.56) CYP11B1CYP11B2KDM1ARAB9AL3MBTL1
SCHEMBL10161953 0.76 CYP11B1 (0.60) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2
SCHEMBL10161950 0.74 HDAC1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1HDAC1
SCHEMBL19567242 0.74 HSD17B1 (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL14018446 0.73 KDM1A (0.59) CYP11B1CYP11B2KDM1ASMN1; SMN2L3MBTL1
SCHEMBL10160852 0.72 CYP11B1 (0.56) CYP11B1CYP11B2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 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 (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 CYP11B1 1030/4885CYP11B2 1380/4885KDM1A 4684/4885
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH CYP11B1 250/4885CYP11B2 157/4885KDM1A 3561/4885

“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.