SCHEMBL9934437

SCHEMBL9934437

O=Cc1cccc2c1Sc1ccccc1S2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ALOX5 P09917 1/20 0.40
ERN1 O75460 4/20 0.38
CYP2A6 P11509 2/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
GAA P10253 2/20 0.34

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
SCHEMBL3046459 0.79 ALDH1A1 (0.40) KMT2AMEN1TDP1ALDH1A1TSHR
SCHEMBL29890913 0.79 ALDH1A1 (0.40) KMT2AMEN1TDP1ALDH1A1TSHR
SCHEMBL11278823 0.76 NOX1 (0.53) KMT2ALMNAMEN1TDP1THRB
SCHEMBL9935195 0.76 MEN1 (0.40) KMT2ALMNAMEN1TDP1THRB
Thianthrene SCHEMBL31297739 0.75 LMNA (0.54) KMT2ALMNAMEN1TDP1THRB
SCHEMBL7392294 0.73 MAOA (0.56) KMT2ALMNAMEN1TDP1THRB
SCHEMBL9031609 0.71 ALOX5 (0.43) KMT2AMEN1TDP1ALDH1A1ALOX5
SCHEMBL4795404 0.71
SCHEMBL9590157 0.71 HDAC6 (0.41) KMT2ALMNAMEN1TDP1THRB
SCHEMBL8582075 0.71 ALOX5 (0.37) KMT2ALMNAMEN1ALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
CN-106749290-B It is a kind of based on the oxidation compound of thioxanthone, preparation method and applications 中节能万润股份有限公司 2019-02-26 CN disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
CN-107184467-A A kind of hair care exterior-applied article being made of Lignum Xanthoceratis extract and preparation method thereof 山西双林富农林开发有限公司 2017-09-22 CN disclosed
CN-106749290-A A kind of compound, preparation method and applications based on oxidation thioxanthone 中节能万润股份有限公司 2017-05-31 CN disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
CN-105250395-A Traditional Chinese medicine composition for treating cerebral hemorrhage sequela, preparing method thereof and application thereof XIE XIANDE 2016-01-20 CN disclosed
EP-2518064-A1 NOVEL ARYL UREA DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
CN-102630858-A Compound pig feed containing Chinese herbal medicine QINGDAO HEMEI FEED CO LTD 2012-08-15 CN disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-4976771-A ALSO PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-12-11 US disclosed
US-4857545-A PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-15 US disclosed
EP-0270252-A2 Derivatives of propenoic acids used in agriculture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-06-08 EP disclosed
CN-85105797-A The preparation of antimicrobial compounds 1986-08-27 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 (3 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-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A KMT2A 2932/4885LMNA 3655/4885MEN1 4110/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 KMT2A 3600/4885LMNA 4218/4885MEN1 3552/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 KMT2A 3915/4885LMNA 4435/4885MEN1 3735/4885

“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.