SCHEMBL3001998

SCHEMBL3001998

O=P(O)(O)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA5A P35218 1/20 0.52
FDPS P14324 7/20 0.47
KCNA5 P22460 3/20 0.47
KCNN4 O15554 2/20 0.47
BTN3A1 O00481 1/20 0.46
PDE3A Q14432 1/20 0.46
NAPRT Q6XQN6 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 2/20 0.43
APP P05067 1/20 0.43
GAA P10253 1/20 0.43
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
F7 P08709 1/20 0.42

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
SCHEMBL31193662 1.00 CA2 (0.52) CA2CA4CA5AFDPSKCNA5
SCHEMBL14353950 0.86 KCNA5 (0.50) FDPSKCNA5KCNN4BTN3A1PDE3A
SCHEMBL14354081 0.80 KCNA5 (0.55) CA2CA4CA5AKCNA5KCNN4
SCHEMBL26023315 0.80 KCNA5 (0.55) CA2CA4CA5AKCNA5KCNN4
Phenylphosphonic Acid SCHEMBL8055471 0.79 CA2 (0.76) CA2CA4CA5AKCNA5KCNN4
SCHEMBL14020770 0.78 KCNA5 (0.44) FDPSKCNA5KCNN4NAPRTHDAC1
SCHEMBL14020759 0.78 KCNA5 (0.44) FDPSKCNA5KCNN4NAPRTHDAC1
SCHEMBL19726388 0.77 KCNA5 (0.47) FDPSKCNA5KCNN4NAPRTHDAC1
SCHEMBL19726387 0.77 KCNA5 (0.47) FDPSKCNA5KCNN4NAPRTHDAC1
SCHEMBL14020774 0.75 KCNA5 (0.42) FDPSKCNA5KCNN4NAPRTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025215648-A1 FABRICATION OF ELECTROCHROMIC COATINGS USING GREEN SOLVENTS AND WATER-SOLUBLE MOLECULAR COMPONENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2025-10-16 WO claimed
EP-0998481-A1 PHOTOSENSITIZERS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2000-05-10 EP claimed
WO-1999003868-A1 PHOTOSENSITIZERS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1999-01-28 WO claimed
WO-2025215648-A1 FABRICATION OF ELECTROCHROMIC COATINGS USING GREEN SOLVENTS AND WATER-SOLUBLE MOLECULAR COMPONENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2025-10-16 WO disclosed
US-20250133947-A1 Thermal Evaporation-Growth of Halide Perovskites Through Phosphonic Acid Addition GEORGIA TECH RES INST (US) 2025-04-24 US disclosed
CN-118401531-A Benzimidazole compound and medical application thereof 中国科学院上海药物研究所 2024-07-26 CN disclosed
WO-2023131333-A1 BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-07-13 WO disclosed
US-20230035913-A1 NITRAPYRIN COMPOSITIONS FOR ENHANCING NITROGEN NUTRIENT USE EFFICIENCY AND IMPROVING PLANT GROWTH VERDESIAN LIFE SCIENCES U.S., LLC 2023-02-02 US disclosed
CN-115334884-A Chlorodiidine compositions for increasing nitrogen nutrient use efficiency and improving plant growth 沃戴申生命科学美国有限责任公司 2022-11-11 CN disclosed
WO-2021141855-A1 NITRAPYRIN COMPOSITIONS FOR ENHANCING NITROGEN NUTRIENT USE EFFICIENCY AND IMPROVING PLANT GROWH VERDESIAN LIFE SCIENCES U.S., LLC (US) 2021-07-15 WO disclosed
US-20100105636-A1 T-TYPE CALCIUM CHANNEL BLOCKER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-29 US disclosed
US-20060047104-A1 Resin, resin composition, process for production thereof, and moldings made by using the same TORAY INDUSTRIES, INC. (JP) 2006-03-02 US disclosed
CN-1649940-A Resin, resin compositions, process for production thereof, and moldings made by using the same TORAY INDUSTRIES (JP) 2005-08-03 CN disclosed
EP-1518884-A1 RESIN, RESIN COMPOSITIONS, PROCESS FOR PRODUCTION THEREOF, AND MOLDINGS MADE BY USING THE SAME TORAY INDUSTRIES, INC. (JP) 2005-03-30 EP disclosed
US-6750313-B2 HIGH REFRACTIVE INDEX AND LOW DISPERSION CHARACTERISTICS; OPTICAL LENSES, FILMS, DISCS; POLYCARBONATE RESIN CONTAINING A PHOSPHONIC ACID GROUP TORAY INDUSTRIES, INC. (JP) 2004-06-15 US disclosed
US-20030013836-A1 Resin composition and articles molded therefrom TORAY INDUSTRIES, INC., A CORPORATION OF JAPAN (JP) 2003-01-16 US disclosed
EP-1270646-A1 RESIN COMPOSITION AND ARTICLES MOLDED THEREFROM TORAY INDUSTRIES, INC. (JP) 2003-01-02 EP disclosed
EP-0998481-A1 PHOTOSENSITIZERS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2000-05-10 EP disclosed
WO-1999003868-A1 PHOTOSENSITIZERS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1999-01-28 WO disclosed
US-4429111-A LUBRICANTS, ABSORBERS, ION EXCHANGERS OCCIDENTAL RESEARCH CORPORATION (US) 1984-01-31 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 (2 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-20100105636-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1E, CACNA1H, CACNA1G CA2 25/4885CA4 203/4885CA5A 387/4885
US-20230035913-A1 NITRAPYRIN COMPOSITIONS FOR ENHANCING NITROGEN NUTRIENT USE EFFICIENCY AND IMPROVING PLANT GROWTH NANS, PNPO, PNP CA2 343/4885CA4 730/4885CA5A 1312/4885

“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.