SCHEMBL255033

SCHEMBL255033

CCOc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAOB P27338 2/20 0.51
NQO1 P15559 1/20 0.48
FFAR1 O14842 1/20 0.48
LTA4H P09960 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
DAO P14920 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 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
SCHEMBL29642759 1.00 TP53 (0.59) TP53CYP3A4MAOBNQO1FFAR1
Fluoride SCHEMBL27290995 0.98 TP53 (0.57) TP53CYP3A4MAOBNQO1FFAR1
Ether SCHEMBL27289747 0.92 TP53 (0.52) TP53CYP3A4MAOBNQO1FFAR1
SCHEMBL7161162 0.86 TP53 (0.46) TP53CYP3A4MAOBMRGPRX4LMNA
SCHEMBL22394663 0.84 MAOB (0.46) TP53CYP3A4MAOBFFAR1MRGPRX4
SCHEMBL30808531 0.84 MAOB (0.46) TP53CYP3A4MAOBFFAR1MRGPRX4
1,3-Diethoxybenzene SCHEMBL1100167 0.84 TP53 (0.71) TP53CYP3A4NQO1LTA4HCYP1A2
SCHEMBL255563 0.83 KMT2A (0.54) MAOBMRGPRX4
SCHEMBL255565 0.82 TSHR (0.54) MAOBLTA4HCYP1A2CYP2C19
SCHEMBL30167692 0.82 TSHR (0.54) MAOBLTA4HCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276966-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives PFIZER (US) 2025-09-04 US disclosed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20250122183-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives PFIZER (US) 2025-04-17 US disclosed
CN-115124410-B Preparation method of 2-fluoro-4-hydroxybenzaldehyde 上海珂华生物科技有限公司 2024-06-04 CN disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-27 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed
EP-0205019-B1 PROCESS FOR THE CONTINUOUS PREPARATION OF AN AROMATIC HYDROCARBON FLUORINATED IN THE RING RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1990-04-18 EP disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 US disclosed
US-4728662-A DIURETICS, URICOSURICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-03-01 US disclosed
US-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 US disclosed
EP-0205019-A1 Process for the continuous preparation of an aromatic hydrocarbon fluorinated in the ring RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1986-12-17 EP disclosed
EP-0119892-B1 HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS GROWTH FACTORS FOR VEGETABLES AND COMPOSITIONS THEREOF ROUSSEL-UCLAF (FR) 1986-08-13 EP disclosed
EP-0119892-A1 Hydroxyl amine derivatives, their preparation, their use as growth factors for vegetables and compositions thereof ROUSSEL-UCLAF (FR) 1984-09-26 EP disclosed
US-4203811-A Process for the manufacture of p-benzoquinone-diketals HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-20 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 (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-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT TP53 4867/4885CYP3A4 1187/4885MAOB 105/4885
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE CYC1, SQOR, MT-CO1 TP53 3345/4885CYP3A4 331/4885MAOB 227/4885
US-20250122183-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives CCNI, MKI67, CCNA1 TP53 224/4885CYP3A4 566/4885MAOB 2843/4885
US-20250276966-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives CCNI, MKI67, CCNA1 TP53 233/4885CYP3A4 601/4885MAOB 2750/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 TP53 4877/4885CYP3A4 2444/4885MAOB 224/4885
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES CYC1, SQOR, MT-CO3 TP53 2943/4885CYP3A4 350/4885MAOB 196/4885

“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.