SCHEMBL23918534

SCHEMBL23918534

CSc1ccc(Nc2ccc(SC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
ROCK1 Q13464 1/20 0.50
IDO1 P14902 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
GSK3B P49841 3/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 5/20 0.44
ALOX12 P18054 2/20 0.44
LMNA P02545 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44

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
SCHEMBL17870330 0.90 ALDH1A1 (0.62) KDM1AADRA2AADRA2BADRA2CROCK1
SCHEMBL16092207 0.90 ALDH1A1 (0.62) KDM1AADRA2AADRA2BADRA2CROCK1
SCHEMBL21440977 0.84 ALDH1A1 (0.47) KDM1AADRA2AADRA2BADRA2CROCK1
SCHEMBL21915359 0.83 KDM1A (0.53) KDM1AADRA2AADRA2BADRA2CROCK1
SCHEMBL5453950 0.81 PLK1 (0.53) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL5923820 0.81 PTGS2 (0.56) MEN1KMT2AMAPTALDH1A1ALOX12
SCHEMBL10871834 0.81 HPGD (0.55) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL83839 0.80 ALDH1A1 (0.58) IDO1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL6971804 0.80 ALDH1A1 (0.52) KDM1AADRA2AADRA2BADRA2CIDO1
SCHEMBL28201678 0.78 ADRA2A (0.45) KDM1AADRA2AADRA2BADRA2CROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119505050-A Compound and preparation method thereof, hole transport material and perovskite solar cell 晶科能源(上饶)有限公司 2025-02-25 CN claimed
CN-118930445-A Compound for photocatalytic reduction of carbon dioxide as well as preparation method and application thereof 大湾区大学(筹) 2024-11-12 CN claimed
CN-119505050-A Compound and preparation method thereof, hole transport material and perovskite solar cell 晶科能源(上饶)有限公司 2025-02-25 CN disclosed
CN-118930445-A Compound for photocatalytic reduction of carbon dioxide as well as preparation method and application thereof 大湾区大学(筹) 2024-11-12 CN disclosed
CN-110128399-B Organic molecular material based on dibenzo five-membered aromatic heterocycle, synthetic method thereof and application of organic molecular material as hole transport layer 常州大学 2021-11-23 CN disclosed
US-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS Tokyo Chemical Industry Co., Ltd. (JP) 2021-10-14 US disclosed
CN-111875579-A Organic molecule based on difluoride dithiophene unit and application of organic molecule as hole transport material in perovskite solar cell 常州大学 2020-11-03 CN disclosed
CN-109096163-B Organic molecular material, synthesis method thereof and application of organic molecular material as hole transport layer 常州大学 2020-08-14 CN disclosed
CN-109096163-B Organic molecular material, synthesis method thereof and application of organic molecular material as hole transport layer 常州大学 2020-08-14 CN disclosed
CN-110128399-A Based on five yuan of heteroaromatic organic molecule materials of dibenzo and its synthetic method and as the application of hole transmission layer 常州大学 2019-08-16 CN disclosed
CN-109096163-A Organic molecule material and its synthetic method and application as hole transmission layer 常州大学 2018-12-28 CN disclosed
CN-109096163-A Organic molecule material and its synthetic method and application as hole transmission layer 常州大学 2018-12-28 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 (1 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-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS SLC43A1, SLC26A3, KCNT1 KDM1A 888/4885ADRA2A 1270/4885ADRA2B 1665/4885

“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.