SCHEMBL147187

SCHEMBL147187

COc1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.63
AKR1C2 P52895 7/20 0.63
AKR1B10 O60218 2/20 0.59
AKR1B1 P15121 2/20 0.59
AKR1C4 P17516 2/20 0.59
AKR1C1 Q04828 2/20 0.59
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 1/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50

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 SCHEMBL11773334 0.98 AKR1C3 (0.61) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL5194932 0.88 ABCB1 (0.52) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL269614 0.87 AKR1C3 (0.63) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL30580504 0.87 AKR1C3 (0.63) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL1632528 0.87 ALDH1A1 (0.57) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL1567614 0.85 NPC1 (0.53) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL1571262 0.85 AKR1C3 (0.54) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL2839286 0.85 KCNMA1 (0.53) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL28588348 0.84 AKR1C3 (0.54) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL3885239 0.84 AKR1C3 (0.51) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 CN claimed
CN-113880762-A 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof 河北农业大学 2022-01-04 CN claimed
CN-110747489-B Electroreduction preparation method of intermediate of anticancer drug gefitinib and analogue thereof 湖南大学 2021-05-07 CN claimed
CN-110747489-A Electroreduction preparation method of intermediate of anticancer drug gefitinib and analogue thereof 湖南大学 2020-02-04 CN claimed
CN-107188841-B A kind of synthetic method of asymmetry diaryl list selenide compound 温州医科大学 2019-07-16 CN claimed
CN-109553534-A A kind of preparation method of 2- nitro -4- methoxy benzoic acid 常州大学 2019-04-02 CN claimed
EP-2757106-A1 Substituted benzimidazole phosphine compounds and a method for decarboxylating carbon-carbon bond Saltigo GmbH (DE) 2014-07-23 EP claimed
EP-4069252-B1 PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING SS-CELL PATHOGENESIS AND TREATING DIABETES ACADEMIA SINICA (CN) 2025-12-10 EP disclosed
US-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2025-05-13 US disclosed
CN-119841822-A Pyrimido [5,4-c ] quinoline compound, preparation method, pharmaceutical composition and application thereof 苏州施安鼎泰生物医药技术有限公司 2025-04-18 CN disclosed
CN-119285675-A Self-assembled hole transport material, photoelectric device, and preparation method and application thereof 天合光能股份有限公司 2025-01-10 CN disclosed
CN-118307594-A Tricarbazole amine-based compound, self-assembled hole transport material containing compound and application of self-assembled hole transport material in perovskite solar cell 天合光能股份有限公司 2024-07-09 CN disclosed
CN-115322158-B As KRASG12CSubstituted quinazoline compounds of protein inhibitor 江南大学 2024-04-30 CN disclosed
EP-0028473-B1 CHLORO- AND ALKOXY-SUBSTITUTED-2,4-DIAMINOQUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1985-01-09 EP disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 US disclosed
EP-0028473-A1 Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-05-13 EP disclosed
US-4111937-A IODINATED ANILIC ACIDS STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4031088-A Iodinated anilic acids STERLING DRUG INC. (US) 1977-06-21 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 (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-12297207-B2 Maytansinoid derivatives, conjugates thereof, and methods of use SLC10A1, HNMT, OGFR AKR1C3 428/4885AKR1C2 417/4885AKR1B10 846/4885

“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.