SCHEMBL70645

SCHEMBL70645

[c]1nc(-c2ccccc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 6/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP3A4 P08684 1/20 0.39
AR P10275 4/20 0.37
NOTUM Q6P988 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL5540279 0.96 RAB9A (0.47) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL6250258 0.86 NPC1 (0.49) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL7325044 0.84 ALDH1A2 (0.35) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL443517 0.82 LMNA (0.43) KMT2ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1435684 0.80 NPC1 (0.61) KMT2ARAB9AMEN1SMN1; SMN2NPC1
SCHEMBL17626009 0.78 ALDH1A1 (0.40) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL10515566 0.78 LTA4H (0.46) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL1916309 0.78 KMT2A (0.47) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL468044 0.78 RAB9A (0.41) ALDH1A1KMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL1387640 0.78 CYP19A1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E

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 1564 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027085-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-05-14 CN claimed
CN-113929696-B Acyl thiourea psoralen derivatives, and preparation method and application thereof 南开大学 2024-05-14 CN claimed
US-20230390259-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-12-07 US claimed
EP-4247797-A1 2-PHENYLBENZOTRIAZOL-5-AMINE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS (HBV) INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP claimed
US-20230286927-A1 2-PHENYLBENZOTRIAZOL-5-AMINE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS (HBV) INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US claimed
CN-116438176-A 2-phenylbenzotriazol-5-amine derivatives for the treatment and prevention of Hepatitis B Virus (HBV) infection 豪夫迈·罗氏有限公司 2023-07-14 CN claimed
CN-114835736-A Compound, display panel and display device 武汉天马微电子有限公司 2022-08-02 CN claimed
WO-2022106588-A1 2-PHENYLBENZOTRIAZOL-5-AMINE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS (HBV) INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO claimed
US-20220153713-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US claimed
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SHENZHEN CELL INSPIRE PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2022-05-19 US claimed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 US claimed
WO-1988000183-A1 S-TRIFLUOROBUTENYL DERIVATIVES AND PESTICIDAL USES FMC CORPORATION (US) 1988-01-14 WO claimed
CN-87104606-A S-trifluoro butenyl derivative and pesticidal use 1988-01-13 CN claimed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US claimed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 EP claimed
EP-0061094-B1 ELECTROPHOTOGRAPHIC RECORDING MATERIAL BASF Aktiengesellschaft (DE) 1985-10-02 EP claimed
US-4481272-A ISOINDOLE DYES BASF AKTIENGESELLSCHAFT (DE) 1984-11-06 US claimed
EP-0061094-A1 Electrophotographic recording material BASF Aktiengesellschaft (DE) 1982-09-29 EP claimed
EP-0006368-B1 4-PHENYL-THIAZOLYL-2-OXAMATE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF ASTHMA PIERRE FABRE S.A. (FR) 1981-11-18 EP claimed
US-4294581-A ANTHRAQUINONE DYES BASF AKTIENGESELLSCHAFT (DE) 1981-10-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20230390259-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PIR ALDH1A1 2259/4885KMT2A 2767/4885RAB9A 2967/4885
US-20220153688-A1 HYDRAZONE AMIDE DERIVATIVES AND USE THEREOF IN PREPARATION OF ANTI-OSTEOPOROSIS DRUGS SOST, HDAC5, PTH1R ALDH1A1 644/4885KMT2A 796/4885RAB9A 607/4885
US-20220153713-A1 HYDRAZONE AMIDE DERIVATIVE AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR PREVENTING AND TREATING ALOPECIA FH, HDGF, HRH4 ALDH1A1 652/4885KMT2A 1019/4885RAB9A 4485/4885
US-20230286927-A1 2-PHENYLBENZOTRIAZOL-5-AMINE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS (HBV) INFECTION HAVCR2, NR1H4, SLC10A1 ALDH1A1 1080/4885KMT2A 473/4885RAB9A 1884/4885

“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.