SCHEMBL4963445

SCHEMBL4963445

O=C(n1nnc2ccccc21)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.58
MGAM O43451 10/20 0.58
AMY1A P0DUB6 10/20 0.58
SI P14410 10/20 0.58
MGAM2 Q2M2H8 10/20 0.58
KMT2A Q03164 3/20 0.58
F2 P00734 2/20 0.58
HPGD P15428 1/20 0.58
SLC9A1 P19634 1/20 0.58
DGAT1 O75907 1/20 0.56
KCNMA1 Q12791 1/20 0.54
F12 P00748 6/20 0.53
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MIF P14174 1/20 0.49
GLA P06280 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL535509 0.83 GAA (0.58) GAAMGAMAMY1ASIMGAM2
SCHEMBL13604194 0.82 GAA (0.52) GAAMGAMAMY1ASIMGAM2
SCHEMBL17994056 0.81 GAA (0.57) GAAMGAMAMY1ASIMGAM2
SCHEMBL10621117 0.80 GAA (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL17994057 0.80 GAA (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL6402628 0.80 GAA (0.55) GAAMGAMAMY1ASIMGAM2
SCHEMBL706083 0.80 MGAM (0.68) GAAMGAMAMY1ASIMGAM2
SCHEMBL4250719 0.80 GAA (0.68) GAAMGAMAMY1ASIMGAM2
SCHEMBL19911632 0.79 KMT2A (0.46) GAAMGAMAMY1ASIMGAM2
SCHEMBL19911622 0.79 KCNMA1 (0.57) GAAMGAMAMY1ASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024024935-A1 NOVEL METHOD FOR PRODUCING ANTIBODY-DRUG CONJUGATE HAVING ANTINEOPLASTIC EFFECT 第一三共株式会社 2024-02-01 WO claimed
WO-2022163846-A1 NOVEL METHOD FOR PRODUCING ANTIBODY-IMMUNOSTIMULATOR CONJUGATE 第一三共株式会社 2022-08-04 WO claimed
EP-2985286-B1 MIDBODY OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-11 EP claimed
US-9359366-B2 Intermediate of Ticagrelor and preparation method therefor, and preparation method for Ticagrelor JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-06-07 US claimed
US-20160052928-A1 INTERMEDIATE OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2016-02-25 US claimed
EP-2985286-A1 MIDBODY OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR Jiangsu Hengrui Medicine Co. Ltd. (CN) 2016-02-17 EP claimed
WO-2025079669-A1 METHOD FOR PRODUCING CONDUCTIVE PARTICLES, AND CONDUCTIVE POWDER 日本化学工業株式会社 2025-04-17 WO disclosed
WO-2024101306-A1 CONDUCTIVE PARTICLES, METHOD FOR MANUFACTURING SAME, CONDUCTIVE MATERIAL, AND CONNECTION STRUCTURE USING SAME 日本化学工業株式会社 2024-05-16 WO disclosed
WO-2024043047-A1 CONDUCTIVE PARTICLES, PRODUCTION METHOD THEREFOR, AND CONDUCTIVE MEMBER 日本化学工業株式会社 2024-02-29 WO disclosed
WO-2024024935-A1 NOVEL METHOD FOR PRODUCING ANTIBODY-DRUG CONJUGATE HAVING ANTINEOPLASTIC EFFECT 第一三共株式会社 2024-02-01 WO disclosed
WO-2022163846-A1 NOVEL METHOD FOR PRODUCING ANTIBODY-IMMUNOSTIMULATOR CONJUGATE 第一三共株式会社 2022-08-04 WO disclosed
US-11311934-B2 Covered particle NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2022-04-26 US disclosed
US-20210174987-A1 COVERED PARTICLE NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-06-10 US disclosed
US-7470815-B1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2008-12-30 US disclosed
US-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors SILVERMAN RICHARD B (US) 2005-07-21 US disclosed
US-6803486-B2 PEPTIDOMIMETIC; N-AMINOBUTYL-N'-NITROGUANIDINE DERIVATIVES NORTHWESTERN UNIVERSITY 2004-10-12 US disclosed
US-6685995-B1 LOW VOLTAGE, WIDE TEMPERATURE RANGE DRIVING; HIGH SPEED RESPONSE CHISSO CORPORATION (JP) 2004-02-03 US disclosed
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY 2003-06-26 US disclosed
WO-2003000198-A2 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2003-01-03 WO disclosed
EP-1053996-A1 ESTER COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 2000-11-22 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 (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-20050159363-A1 Selective neuronal nitric oxide synthase inhibitors NOS1, NOS3, NOS2 GAA 2689/4885MGAM 4268/4885AMY1A 4402/4885
US-20160052928-A1 INTERMEDIATE OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR POR, CYP2C19, TKFC GAA 873/4885MGAM 1874/4885AMY1A 2957/4885
US-20030119751-A1 Selective neuronal nitric oxide synthase inhibitors NOS1, NOS3, NOS2 GAA 2689/4885MGAM 4268/4885AMY1A 4402/4885

“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.