SCHEMBL754122

SCHEMBL754122

C=Cc1cccnc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
AGER Q15109 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP1A2 P05177 1/20 0.49
MYC P01106 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
NAPRT Q6XQN6 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
P4HTM Q9NXG6 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
GAA P10253 1/20 0.39

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
Hydrochloric Acid SCHEMBL16239168 0.98 KDM4E (0.53) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL16239166 0.83 KDM4E (0.40) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL2840909 0.83 KDM4E (0.40) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL31628026 0.83 ALDH1A1 (0.41) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL547926 0.82 KDM4E (0.57) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL14567324 0.79 KDM4E (0.36) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL13388358 0.79 MAPT (0.37) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL535731 0.79 L3MBTL1 (0.55) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL16239167 0.79 L3MBTL1 (0.37) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL13379447 0.79 MAPK1 (0.39) KDM4EALDH1A1MAPTL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271386-B1 COMPLEXABLE WITH ACTIVE AGROCHEMICAL, PHARMACEUTICAL OR COSMETIC AGENTS FOR CONTROLLED RELEASE THEREOF; LAUNDRY DETERGENT OR RINSING COMPOSITION. ISP INVESTMENTS INC. 2001-08-07 US claimed
US-6156829-A Product and process for making quaternized, water soluble vinylpyridine carboxylate polymers ISP INVESTMENTS INC. (US) 2000-12-05 US claimed
WO-2000035880-A1 QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS ISP INVESTMENTS INC. (US) 2000-06-22 WO claimed
WO-2000035881-A1 QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS ISP INVESTMENTS, INC. (US) 2000-06-22 WO claimed
JP-6202178-A None JP disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
CN-108950645-B Aluminum and aluminum alloy anodic oxidation nickel-free sealing agent 上海铝通化学科技有限公司 2020-10-23 CN disclosed
CN-108950645-A A kind of aluminium and aluminium alloy anode oxide are without nickel sealer 上海铝通化学科技有限公司 2018-12-07 CN disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-6156829-A Product and process for making quaternized, water soluble vinylpyridine carboxylate polymers ISP INVESTMENTS INC. (US) 2000-12-05 US disclosed
US-6156829-A Product and process for making quaternized, water soluble vinylpyridine carboxylate polymers ISP INVESTMENTS INC. (US) 2000-12-05 US disclosed
US-6156829-A Product and process for making quaternized, water soluble vinylpyridine carboxylate polymers ISP INVESTMENTS INC. (US) 2000-12-05 US disclosed
WO-2000035880-A1 QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS ISP INVESTMENTS INC. (US) 2000-06-22 WO disclosed
WO-2000035880-A1 QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS ISP INVESTMENTS INC. (US) 2000-06-22 WO disclosed
WO-2000035881-A1 QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS ISP INVESTMENTS, INC. (US) 2000-06-22 WO disclosed
WO-2000035881-A1 QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS ISP INVESTMENTS, INC. (US) 2000-06-22 WO disclosed
JP-H06202178-A ORGANIC NONLINEAR OPTICAL MATERIAL SEKISUI CHEM CO LTD 1994-07-22 JP 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 (1 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL KDM4E 3740/4885ALDH1A1 1107/4885MAPT 3923/4885

“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.