SCHEMBL4728786

SCHEMBL4728786

Cn1c(CCO)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.67
MAPT P10636 2/20 0.62
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
PDE10A Q9Y233 2/20 0.60
GAA P10253 2/20 0.60
ALDH1A1 P00352 1/20 0.57
RECQL P46063 1/20 0.57
LMNA P02545 3/20 0.57
CYP2D6 P10635 2/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
Water SCHEMBL23043360 0.98 HDAC6 (0.65) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4485011 0.90 MAPT (0.68) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17933568 0.88 MAPT (0.70) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14050118 0.85 MAPT (0.76) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL104281 0.85 HDAC6 (0.61) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3640134 0.84 LMNA (0.64) HDAC6MAPTNPC1RAB9ASMN1; SMN2
Iodide SCHEMBL3451153 0.82 LMNA (0.62) HDAC6MAPTNPC1RAB9ASMN1; SMN2
Iodide SCHEMBL3451154 0.82 LMNA (0.62) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17933573 0.82 MAPT (0.62) HDAC6MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9569938 0.82 HDAC6 (0.67) HDAC6MAPTNPC1RAB9ASMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 US disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 US disclosed
US-9394310-B2 Carbocycle-substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2016-07-19 US disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 US disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 US disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 US disclosed
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed
US-5270322-A Imidazo[1,2-a]pyridines, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1993-12-14 US disclosed
US-4006153-A Anthelmintic benzimidazoles with improved aqueous stability MERCK & CO., INC. (US) 1977-02-01 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (3 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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD HDAC6 231/4885MAPT 4669/4885NPC1 568/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD HDAC6 231/4885MAPT 4669/4885NPC1 568/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD HDAC6 149/4885MAPT 4554/4885NPC1 1197/4885

“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.