SCHEMBL4477160

SCHEMBL4477160

Clc1ccc2[c]scc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.39
AHR P35869 3/20 0.34
F7 P08709 1/20 0.34
LTA4H P09960 1/20 0.34
F3 P13726 1/20 0.34
NR4A2 P43354 1/20 0.34
TP53 P04637 2/20 0.33
NOS1 P29475 1/20 0.32
F11 P03951 1/20 0.31
CYP3A4 P08684 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HSD17B10 Q99714 3/20 0.31
ALOX15 P16050 2/20 0.31
MEN1 O00255 1/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4461028 0.84 CYP2A6 (0.38) CYP2A6AHRNR4A2TP53NOS1
SCHEMBL5543321 0.76 CYP2A6 (0.38) CYP2A6AHRNR4A2NOS1ALDH1A1
SCHEMBL700107 0.76 CYP2A6 (0.44) CYP2A6TP53CYP3A4ALDH1A1HSD17B10
SCHEMBL5543631 0.72 PTPN5 (0.38) MEN1KMT2ATSHR
SCHEMBL5535118 0.69
Hydrochloric Acid SCHEMBL29200223 0.68 CYP2A6 (0.72) CYP2A6AHRF7LTA4HF3
SCHEMBL5540032 0.67 NPC1 (0.42) TP53CYP3A4HSD17B10ALOX15CYP2C9
SCHEMBL28130734 0.67 CYP2A6 (0.33) CYP2A6
SCHEMBL21177765 0.67 CYP2A6 (0.33) CYP2A6
SCHEMBL865990 0.65 CYP2A6 (0.77) CYP2A6AHRF7LTA4HF3

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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7521454-B2 Adenine derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-04-21 US disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
EP-1386923-B1 NOVEL ADENINE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO (JP) 2008-08-13 EP disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-02-15 US disclosed
US-7157465-B2 Adenine derivatives DAINIPPON SIMITOMO PHARMA CO., LTD. (JP) 2007-01-02 US disclosed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US disclosed
US-4260608-A ANTIMICROBIAL, ANTIMITOTIC, AND ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-07 US disclosed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 US disclosed
US-4248870-A MICROBIOCIDES, ANTITUMOR AGENTS, AND ANTIMITOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-03 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed
EP-0011277-A1 Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0011276-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0010735-A1 Maytansinoids, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-14 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 EP 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-20070037832-A1 2-butylamino-8-hydroxy-9-(6-methyl-3-pyridylmethyl)adenine; interferon inducing activity; antiviral, antiallergic agent; immune response modulator; hepatitis B and C, asthma, atopic dermatitis IRF3, IFNAR1, IFNG CYP2A6 432/4885AHR 70/4885F7 2743/4885

“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.