SCHEMBL22940440

SCHEMBL22940440

CCOP(=S)(S)OCCOc1cccnc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GRM5 P41594 2/20 0.35
LMNA P02545 5/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 5/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 2/20 0.33
PLCG1 P19174 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP11B1 P15538 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL10221817 0.78 PKM (0.49) ALDH1A1GRM5LMNAMAPTNPSR1
SCHEMBL22551784 0.77 USP8 (0.43) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL11498598 0.76 PDE5A (0.45) ALDH1A1LMNAMAPTKDM4EPLCG1
SCHEMBL22552075 0.72 PDE5A (0.43) ALDH1A1KDM4EPLCG1CYP11B1MAPK1
SCHEMBL22552118 0.72 HTR7 (0.49) ALDH1A1KDM4ENPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL7429009 0.71 KDM4E (0.53) LMNAMAPTKDM4EPKMRAB9A
SCHEMBL30542289 0.70 PLCG1 (0.40) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL16238292 0.69 PLCG1 (0.43) ALDH1A1GRM5MAPTKDM4EPKM
SCHEMBL30826998 0.69 PDE5A (0.39) ALDH1A1KDM4EPOLBPLCG1NPC1
SCHEMBL27858859 0.69 CYP11B1 (0.40) GRM5PKMPLCG1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2023-02-21 US disclosed
US-20210032241-A1 AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 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 (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-20210032241-A1 AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF ALK, NOTUM, WEE1 ALDH1A1 422/4885GRM5 1401/4885LMNA 922/4885
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof ALK, NOTUM, WEE1 ALDH1A1 422/4885GRM5 1401/4885LMNA 922/4885

“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.