SCHEMBL1663012

SCHEMBL1663012

Cc1cccc(F)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.48
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
ERN1 O75460 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NFE2L2 Q16236 2/20 0.39
IKBKB O14920 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 2/20 0.36
MAT2A P31153 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 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
SCHEMBL31227003 1.00 ACHE (0.48) ACHEALDH1A1TSHRERN1MEN1
SCHEMBL95708 0.83 ERN1 (0.50) ALDH1A1ERN1MEN1KMT2ATDP1
SCHEMBL66979 0.83 ALDH1A1 (0.52) ACHEALDH1A1TSHRMEN1KMT2A
SCHEMBL28641344 0.80 ALDH1A1 (0.50) ACHEALDH1A1TSHRMEN1KMT2A
SCHEMBL3271795 0.78 ERN1 (0.40) ACHEALDH1A1TSHRERN1MEN1
SCHEMBL12091400 0.77 ACHE (0.48) ACHEALDH1A1TSHRTDP1NFE2L2
SCHEMBL2562309 0.77 PDE7A (0.43) ALDH1A1TSHRMEN1KMT2ATRIM24
SCHEMBL12656511 0.76 ACHE (0.46) ACHETDP1NFE2L2KCNH2MAT2A
SCHEMBL652253 0.74 ERN1 (0.59) ALDH1A1TSHRERN1MEN1KMT2A
SCHEMBL17027637 0.74 ALDH1A1 (0.44) ACHEALDH1A1TSHRERN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409595-A 1-styryl isoquinoline derivative and preparation and application thereof 南华大学附属第一医院 2022-04-29 CN claimed
EP-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION FUJIFILM CORPORATION (JP) 2025-10-23 US disclosed
EP-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
US-12281057-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-22 US disclosed
CN-119816484-A Novel piperazine derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2025-04-11 CN disclosed
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 US disclosed
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 US disclosed
WO-2024238574-A1 CDK INHIBITOR COMPOUNDS ALEKSIA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
EP-3651752-B1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2024-11-20 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20090286800-A1 Glucokinase Activators TAKEDA SAN DIEGO, INC. (US) 2009-11-19 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US disclosed
US-5340833-A Antiarthritic, antiinflammatory, antitumor agents EISAI CO., LTD. (JP) 1994-08-23 US disclosed
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US 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 (7 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 ACHE 3689/4885ALDH1A1 1978/4885TSHR 1134/4885
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 ACHE 1897/4885ALDH1A1 51/4885TSHR 408/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R ACHE 4766/4885ALDH1A1 2057/4885TSHR 19/4885
US-20090286800-A1 Glucokinase Activators GCK, GCKR, GALK1 ACHE 898/4885ALDH1A1 1149/4885TSHR 3402/4885
US-20250326744-A1 PIPERAZINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION ABCB11, ABCC1, SLC11A2 ACHE 2892/4885ALDH1A1 774/4885TSHR 3952/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R ACHE 4766/4885ALDH1A1 2057/4885TSHR 19/4885
US-12281057-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A ACHE 514/4885ALDH1A1 2665/4885TSHR 3163/4885

“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.