SCHEMBL193032

SCHEMBL193032

O=[N+]([O-])c1c[c]c(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 7/20 0.41
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.39
VCAM1 P19320 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL4414939 0.78
SCHEMBL193215 0.76 ALDH1A1 (0.43) HSD17B10ALDH1A1ACHETDP1LMNA
SCHEMBL18603 0.76 ALDH1A1 (0.43) HSD17B10ALDH1A1ACHETDP1LMNA
SCHEMBL2906487 0.74 ALDH1A1 (0.41) HSD17B10ALDH1A1ACHETDP1LMNA
SCHEMBL973063 0.74 ALDH1A1 (0.44) HSD17B10ALDH1A1ACHETDP1CES1
SCHEMBL146709 0.74 ALDH1A1 (0.44) HSD17B10ALDH1A1ACHETDP1LMNA
SCHEMBL3885956 0.74 ALDH1A1 (0.52) HSD17B10ALDH1A1ACHETDP1LMNA
SCHEMBL218653 0.74 HSD17B10 (0.52) HSD17B10ALDH1A1ACHETDP1LMNA
SCHEMBL8715421 0.72 ALDH1A1 (0.40) HSD17B10ALDH1A1ACHETDP1LMNA
SCHEMBL11621790 0.71 HSD17B10 (0.44) HSD17B10ALDH1A1ACHETDP1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658933-A 1,2, 4-triazolol substituted benzenesulfonamide derivatives 贵阳学院 2024-03-08 CN claimed
CN-116751244-A Alpha, beta-unsaturated carbonyl 18 beta-glycyrrhetinic acid derivative, and preparation method and application thereof 山东大学 2023-09-15 CN claimed
CN-114478478-B N- (1- (6- (substituted phenyl) pyridazin-3-yl) piperidin-3-yl) amine/amide derivatives and process for preparing the same 厦门大学 2023-06-13 CN claimed
CN-114478478-A N- (1- (6- (substituted phenyl) pyridazine-3-yl) piperidine-3-yl) amine/amide derivative and preparation method thereof 厦门大学 2022-05-13 CN claimed
CN-112694473-A 7, 9-disubstituted berberine derivative and preparation method and application thereof 南京林业大学 2021-04-23 CN claimed
CN-111848548-A 5-substituted-1, 3, 4-thiadiazole Schiff base derivative and preparation method and application thereof 天津科技大学 2020-10-30 CN claimed
CN-106699570-B Synthesis method of (2-chloro-5-iodophenyl) (4-fluorophenyl) ketone 山东铂源药业有限公司 2020-04-21 CN claimed
EP-2044006-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-05-30 EP claimed
US-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-26 US claimed
EP-2903440-B1 HETEROCYCLIC COMPOUNDS AS PEST CONTROLLING AGENTS BAYER CROPSCIENCE AG (DE) 2017-09-06 EP claimed
EP-0031104-B1 THIAZOLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-10-23 EP claimed
US-4521430-A VASODILATOR, ANTIISCHEMIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1985-06-04 US claimed
EP-0141909-A2 E-Triazolylpentenols, process for their preparation and biocides and plant growth regulators containing them SCHERING AKTIENGESELLSCHAFT (DE) 1985-05-22 EP claimed
EP-0128462-A1 Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-19 EP claimed
EP-0048548-B1 PHARMACEUTICAL COMPOSITIONS OF FUNGICIDAL TRIAZOLE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-14 EP claimed
EP-0097425-A2 Fungicidal or plant growth regulating triazolyl ethanols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-04 EP claimed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US claimed
EP-0048548-A1 Pharmaceutical compositions of fungicidal triazole derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-31 EP claimed
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 EP claimed
US-4129739-A Amidine compounds GAF CORPORATION (US) 1978-12-12 US claimed

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-20170305864-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS HSD17B10 1198/4885ALDH1A1 2740/4885ACHE 2/4885

“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.