SCHEMBL4764220

SCHEMBL4764220

Brc1ccc(CC2CNCCS2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOB P27338 4/20 0.34
MAOA P21397 4/20 0.34
ALOX12 P18054 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HTR1D P28221 1/20 0.33
REN P00797 1/20 0.32
HTR2C P28335 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CHRM1 P11229 2/20 0.32
HRH1 P35367 2/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL27532142 0.83 MAPT (0.37) MAPTTDP1ALDH1A1MAOBMAOA
SCHEMBL694287 0.83 MAOB (0.48) MAOB
SCHEMBL17397341 0.81 TAAR1 (0.37) SMN1; SMN2TDP1MAOB
SCHEMBL28593515 0.72 MEN1 (0.40) MAOBCYP3A4CYP2D6CHRM1HRH1
SCHEMBL1994019 0.70 GBA1 (0.52) RENCHRM1
SCHEMBL29890511 0.70 GBA1 (0.52) RENCHRM1
SCHEMBL324588 0.70 MAOA (0.63) MAPTSMN1; SMN2TDP1MAOBMAOA
SCHEMBL1994022 0.70 GBA1 (0.52) RENCHRM1
SCHEMBL5563370 0.69 HRH3 (0.49) MAPTSMN1; SMN2TDP1HTR1DREN
SCHEMBL5563368 0.69 HRH3 (0.49) MAPTSMN1; SMN2TDP1HTR1DREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016000615-A1 HETEROARYL COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-07 WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MAPT 1892/4885SMN1; SMN2 27/4885TDP1 1197/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPT 3756/4885SMN1; SMN2 37/4885TDP1 326/4885

“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.