SCHEMBL1638641

SCHEMBL1638641

C=Cc1ccc(CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
NPSR1 Q6W5P4 1/20 0.50
ADRA1D P25100 3/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL17146224 0.87 NPSR1 (0.49) CASP3CA12CA1CA2CA9
SCHEMBL12793010 0.86 NPSR1 (0.68) CA12CA1CA2CA9NPSR1
SCHEMBL1206335 0.84 CASP3 (0.59) CASP3CA12CA1CA2CA9
SCHEMBL20806115 0.84 KDM4E (0.47) CASP3CA12CA1CA2CA9
SCHEMBL19519851 0.83 CASP3 (0.59) CASP3CA1CA2CA9NPSR1
SCHEMBL16369912 0.82 KDM4E (0.50) CASP3CA12CA1CA2CA9
SCHEMBL13503489 0.82 ADRA1D (0.45) CASP3CA12CA1CA2CA9
SCHEMBL17146225 0.82 KMT2A (0.56) CASP3CA12CA1CA2CA9
SCHEMBL16369831 0.82 CA1 (0.61) CA12CA1CA2CA9ADRA1D
SCHEMBL8124121 0.81 MAPT (0.46) CA1CA2ALDH1A1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120081864-A Synthesis method of 1, 3-diboron compound 西安交通大学 2025-06-03 CN claimed
CN-120081864-A Synthesis method of 1, 3-diboron compound 西安交通大学 2025-06-03 CN disclosed
CN-108680543-B Method for detecting nitroaromatic explosives 齐鲁工业大学 2020-12-08 CN disclosed
EP-3078695-B1 BLOCK COPOLYMER LG CHEMICAL LTD (KR) 2020-11-04 EP disclosed
CN-108729025-B Fluorescence sensor based on amino modified polystyrene and preparation method thereof 齐鲁工业大学 2020-02-11 CN disclosed
EP-3491922-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2019-06-05 EP disclosed
US-10227437-B2 Block copolymer LG CHEM, LTD. (KR) 2019-03-12 US disclosed
US-10227438-B2 Block copolymer LG CHEM, LTD. (KR) 2019-03-12 US disclosed
US-10202480-B2 Block copolymer LG CHEM, LTD. (KR) 2019-02-12 US disclosed
EP-3078691-B1 BLOCK COPOLYMER LG CHEMICAL LTD (KR) 2018-04-18 EP disclosed
US-20090124706-A1 CONTACT LENS SOLUTION AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME TOMEY CO., LTD (JP) 2009-05-14 US disclosed
US-20090124706-A1 CONTACT LENS SOLUTION AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME TOMEY CO., LTD (JP) 2009-05-14 US disclosed
EP-2042912-A1 LIQUID AGENT FOR CONTACT LENS AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME Tomey Co., Ltd. (JP) 2009-04-01 EP disclosed
US-20090001802-A1 Extraction of Actinides From Mixtures and Ores Using Dendritic Macromolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-01-01 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP disclosed
WO-2001046695-A1 NOVEL SUPPORTS FOR SOLID PHASE SYNTHESIS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed
EP-0394068-B1 Styrene derivatives having n-acetylchito-oligosaccharide chains and method for preparing the same MITSUI TOATSU CHEMICALS (JP) 1995-02-01 EP disclosed
US-5206318-A Biomedical, cell culture materials MITSUI TOATSU CHEMICALS, INC. (JP) 1993-04-27 US disclosed
EP-0394068-A1 Styrene derivatives having n-acetylchito-oligosaccharide chains and method for preparing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-24 EP 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 (5 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-10227438-B2 Block copolymer CCNB2, CCNB1, MPHOSPH6 CASP3 3073/4885CA12 935/4885CA1 1198/4885
US-20090124706-A1 CONTACT LENS SOLUTION AND METHOD FOR HYDROPHILIZING CONTACT LENS BY USING THE SAME CRYZ, AQP1, CRYAB CASP3 1274/4885CA12 78/4885CA1 96/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CASP3 4609/4885CA12 2933/4885CA1 4044/4885
US-10227437-B2 Block copolymer CCNB2, CCNB1, MPHOSPH6 CASP3 3073/4885CA12 935/4885CA1 1198/4885
US-10202480-B2 Block copolymer CCNB2, CCNB1, MPHOSPH6 CASP3 3073/4885CA12 935/4885CA1 1198/4885

“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.