SCHEMBL4261970

SCHEMBL4261970

COc1ccc(-c2csc(C3CCNCC3)n2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.52
TLR9 Q9NR96 4/20 0.48
TLR7 Q9NYK1 4/20 0.48
TLR8 Q9NR97 3/20 0.48
RAB9A P51151 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
NPC1 O15118 5/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.46
PLAT P00750 1/20 0.43
GAA P10253 2/20 0.43
RECQL P46063 1/20 0.43

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
Bromide SCHEMBL2984287 0.99 HPGDS (0.51) HPGDSTLR9TLR7TLR8RAB9A
Tert-Butyl Formate SCHEMBL28309477 0.89 TLR9 (0.45) HPGDSTLR9TLR7TLR8RAB9A
SCHEMBL4257174 0.83 RAB9A (0.60) HPGDSRAB9AMEN1KMT2ANPC1
Bromide SCHEMBL2972856 0.82 NPC1 (0.62) HPGDSRAB9AMEN1KMT2ANPC1
SCHEMBL4262042 0.81 HPGDS (0.57) HPGDSRAB9AMEN1KMT2ANPC1
SCHEMBL2981891 0.81 MAPT (0.50) TLR9TLR7TLR8RAB9AMEN1
Bromide SCHEMBL2987437 0.81 HPGDS (0.56) HPGDSRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2978630 0.80 MAPT (0.49) TLR9TLR7TLR8RAB9AMEN1
SCHEMBL18997361 0.80 KMO (0.46) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL22358276 0.79 MEN1 (0.53) TLR7RAB9AMEN1KMT2ANPC1

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
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 CN disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed
EP-1945635-B1 THIAZOLYL PIPERIDINE DERIVATIVES USEFUL AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
CN-101243078-A Thiazolyl piperidine derivatives useful as h3 receptor modulators HOFFMANN LA ROCHE (CH) 2008-08-13 CN 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 HPGDS 1875/4885TLR9 4108/4885TLR7 2921/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 HPGDS 1875/4885TLR9 4108/4885TLR7 2921/4885

“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.