SCHEMBL3033496

SCHEMBL3033496

CN(C)c1ccc(-n2nc3ccc(I)cc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
APP P05067 6/20 0.44
NPC1 O15118 11/20 0.44
RAB9A P51151 10/20 0.44
MAPT P10636 8/20 0.44
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 7/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 3/20 0.44
TP53 P04637 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL9704263 0.82 RAB9A (0.57) ALOX5APPNPC1RAB9AMAPT
SCHEMBL13379899 0.81 NPC1 (0.65) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL3042867 0.81 NPC1 (0.55) ALOX5APPNPC1RAB9AMAPT
SCHEMBL3041535 0.81 ALOX5 (0.50) ALOX5APPNPC1RAB9AMAPT
SCHEMBL3048501 0.81 ALOX5 (0.50) ALOX5APPNPC1RAB9AMAPT
SCHEMBL13290986 0.81 ALOX5 (0.50) ALOX5APPNPC1RAB9AMAPT
SCHEMBL13290970 0.81 NPC1 (0.55) ALOX5APPNPC1RAB9AMAPT
SCHEMBL3042432 0.81 NPC1 (0.55) ALOX5NPC1RAB9AMAPTALDH1A1
SCHEMBL3032584 0.81 NPC1 (0.69) ALOX5NPC1RAB9AMAPTALDH1A1
SCHEMBL3045365 0.79 ALOX5 (0.49) ALOX5NPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666754-B1 FULLY CONTINUOUS FLOW PRODUCTION PROCESS FOR DIRECTLY PREPARING ORGANIC PEROXIDE FROM ALCOHOL OR ALKANE SHANGHAI HYBRID CHEM TECH (CN) 2023-03-29 EP claimed
US-10919849-B2 Online continuous flow process for the preparation of organic peroxides direct from alcohols or alkanes SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2021-02-16 US claimed
US-20200199068-A1 ONLINE CONTINUOUS FLOW PROCESS FOR THE PREPARATION OF ORGANIC PEROXIDES DIRECT FROM ALCOHOLS OR ALKANES SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2020-06-25 US claimed
EP-3666755-A1 ONLINE FULL CONTINUOUS FLOW PRODUCTION PROCESS FOR DIRECTLY PREPARING ORGANIC PEROXIDE WITH HYDROGEN PEROXIDE AS RAW MATERIAL Shanghai Hybrid-Chem Technologies (CN) 2020-06-17 EP claimed
EP-3666754-A1 ONLINE FULLY CONTINUOUS FLOW PRODUCTION PROCESS FOR DIRECTLY PREPARING ORGANIC PEROXIDE FROM ALCOHOL OR ALKANE Shanghai Hybrid-Chem Technologies (CN) 2020-06-17 EP claimed
US-11840517-B2 Lappaconitine derivative with analgesic activity, and preparation and application thereof SOUTHWEST JIAOTONG UNIVERSITY (CN) 2023-12-12 US disclosed
EP-3666754-B1 FULLY CONTINUOUS FLOW PRODUCTION PROCESS FOR DIRECTLY PREPARING ORGANIC PEROXIDE FROM ALCOHOL OR ALKANE SHANGHAI HYBRID CHEM TECH (CN) 2023-03-29 EP disclosed
CN-115626894-A Lappaconitine derivative with analgesic activity and preparation method and application thereof 西南交通大学 2023-01-20 CN disclosed
CN-113105391-B Lappaconitine derivative with analgesic activity and preparation method and application thereof 西南交通大学 2022-12-16 CN disclosed
US-20220144779-A1 LAPPACONITINE DERIVATIVE WITH ANALGESIC ACTIVITY, AND PREPARATION AND APPLICATION THEREOF SOUTHWEST JIAOTONG UNIVERSITY (CN) 2022-05-12 US disclosed
CN-113105391-A Lappaconitine derivative with analgesic activity and preparation method and application thereof 西南交通大学 2021-07-13 CN disclosed
US-10947189-B2 Online continuous flow process for the synthesis of organic peroxides using hydrogen peroxide as raw material SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2021-03-16 US disclosed
US-4749812-A N-(3-chloro-4-isopropylphenyl) carboxamide derivative and selective herbicide MITSUI TOATSU CHEMICALS, INC. (JP) 1988-06-07 US disclosed
US-4742080-A Therapeutic method for producing bronchodilation by administration of 15-deoxy-16-hydroxy prostaglandin esters MILES LABORATORIES, INC. (US) 1988-05-03 US disclosed
US-4609650-A ANTIANDROGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-02 US disclosed
EP-0124252-A2 Double ester of 16beta-ethylestran-17beta-ol derivatives Takeda Chemical Industries, Ltd. (JP) 1984-11-07 EP disclosed
US-4415592-A ANTISECRETORY AND HYPOTENSIVE AGENTS MILES LABORATORIES, INC. (US) 1983-11-15 US disclosed
US-4331688-A Therapeutic method for inhibiting gastric secretion by administration of 15-deoxy-16-hydroxy prostaglandins MILES LABORATORIES, INC. (US) 1982-05-25 US disclosed
US-4275224-A BRONCHODIALATORS AND ANTI-GASTRIC SECRETION AGENTS MILES LABORATORIES, INC. (US) 1981-06-23 US disclosed
US-4132738-A BRONCHODILATORS, ANTISECRETORY AGENTS MILES LABORATORIES, INC. (US) 1979-01-02 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 (5 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-10947189-B2 Online continuous flow process for the synthesis of organic peroxides using hydrogen peroxide as raw material PPOX, HAO2, AOX1 ALOX5 147/4885APP 918/4885NPC1 2272/4885
US-10919849-B2 Online continuous flow process for the preparation of organic peroxides direct from alcohols or alkanes ADH1A, ADH1C, AOX1 ALOX5 56/4885APP 1371/4885NPC1 1685/4885
US-20200199068-A1 ONLINE CONTINUOUS FLOW PROCESS FOR THE PREPARATION OF ORGANIC PEROXIDES DIRECT FROM ALCOHOLS OR ALKANES ADH1A, ADH1C, AOX1 ALOX5 56/4885APP 1371/4885NPC1 1685/4885
US-11840517-B2 Lappaconitine derivative with analgesic activity, and preparation and application thereof LPXN, ACHE, OPRL1 ALOX5 1542/4885APP 812/4885NPC1 2354/4885
US-20220144779-A1 LAPPACONITINE DERIVATIVE WITH ANALGESIC ACTIVITY, AND PREPARATION AND APPLICATION THEREOF LPXN, ACHE, OPRL1 ALOX5 1542/4885APP 812/4885NPC1 2354/4885

“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.