SCHEMBL855493

SCHEMBL855493

COc1ccc(CN)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ATM Q13315 1/20 0.53
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
CYP17A1 P05093 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
DBH P09172 1/20 0.48
MEN1 O00255 1/20 0.47
APEX1 P27695 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.47
MITF O75030 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM1A O60341 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL29729049 1.00 KDM4E (0.53) KDM4EATMLMNAHTTCYP17A1
Hydrochloric Acid SCHEMBL3562522 0.98 KDM4E (0.52) KDM4EATMLMNAHTTCYP17A1
SCHEMBL988997 0.86 KDM4E (0.72) KDM4EATMLMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1437290 0.85 KDM4E (0.70) KDM4EATMLMNACYP1A2CYP3A4
SCHEMBL943423 0.84 KDM4E (0.53) KDM4EATMLMNACYP1A2CYP3A4
SCHEMBL758255 0.83 ROCK2 (0.51) KDM4EATMCYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL3646139 0.82 KDM4E (0.52) KDM4EATMLMNACYP1A2CYP3A4
SCHEMBL28733753 0.82 KDM4E (0.56) KDM4EATMLMNACYP1A2CYP3A4
SCHEMBL2759522 0.82 HTT (0.51) KDM4ELMNAHTTCYP17A1DBH
SCHEMBL44393 0.81 ATM (0.70) KDM4EATMCYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
US-12559454-B2 Benzenesulfonamide derivatives and uses thereof 2692372 ONTARIO, INC. (CA) 2026-02-24 US disclosed
EP-4635568-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA Pharmaceuticals Inc. (US) 2025-10-22 EP disclosed
EP-3672954-B1 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-08-13 EP disclosed
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-06-19 US disclosed
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2024-11-12 US disclosed
CN-115335358-B Synthesis of Capsaicin Derivatives 阿克西赫姆公司 2024-07-12 CN disclosed
WO-2024110608-A1 PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NEURALIS (BE) 2024-05-30 WO disclosed
US-11891351-B2 Synthesis of capsaicin derivatives AXICHEM AS (NO) 2024-02-06 US disclosed
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed
WO-2008051826-A2 PURINES AS PKC-THETA INHIBITORS N.V. ORGANON (NL) 2008-05-02 WO disclosed
WO-2008051826-A2 PURINES AS PKC-THETA INHIBITORS N.V. ORGANON (NL) 2008-05-02 WO disclosed
US-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 US disclosed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO 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 (6 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-11891351-B2 Synthesis of capsaicin derivatives TRPV1, TRPV6, HCAR3 KDM4E 2121/4885ATM 4851/4885LMNA 4135/4885
US-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP25, MMP15 KDM4E 1506/4885ATM 4540/4885LMNA 3059/4885
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 KDM4E 4595/4885ATM 2808/4885LMNA 1628/4885
US-12559454-B2 Benzenesulfonamide derivatives and uses thereof NR2E1, NR2C2, NR3C1 KDM4E 4725/4885ATM 4189/4885LMNA 1384/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 KDM4E 4402/4885ATM 3818/4885LMNA 486/4885
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 KDM4E 4595/4885ATM 2808/4885LMNA 1628/4885

“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.